NOAEL Studies Cosmetic Ingredient

Diacetyl NOAEL Studies

INCI: DIACETYL

CAS: 431-03-8

Raw No Observed Adverse Effect Level endpoint records grouped by source. This page does not render calculated Margin of Safety values.

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COSMOS_DB 2 endpoints
Source Endpoint Type Value Unit Species Route Duration Study Type Reference
COSMOS_DB NOAEL 540 mg/kg bw/day rat oral 90 day Subchronic US FDA CFSAN PAFA; US FDA CFSAN PAFA Study
COSMOS_DB NOAEL 300 mg/kg bw/day rat oral 1 day Special Toxicology Study US FDA CFSAN PAFA; US FDA CFSAN PAFA Study
EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx 1 endpoint
Source Endpoint Type Value Unit Species Route Duration Study Type Reference
EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx NOAEL =90 mg/kg bw/day Rat oral: gavage 90 days subchronic EFSA FEEDAP - 2016 - OutputID 2887 - mortality - systemic - Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species - doi:10.2903/j.efsa.2016.4618
NTP_ICE_acute_oral 3 endpoints
Source Endpoint Type Value Unit Species Route Duration Study Type Reference
NTP_ICE_acute_oral LD50 =3400 mg/kg bw Rat (Male) oral acute Rat Acute Oral Toxicity NLM Hazardous Substances Data Bank (undated); record_id=acute_oral_6455; row=10058; data_type=In Vivo; mixture=Chemical; chemical_name=2,3-Butanedione; preferred_name=2,3-Butanedione; dtxsid=DTXSID6021583; url=https://pubchem.ncbi.nlm.nih.gov/; url_comptox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; url_cebs=https://doi.org/10.22427/NTP-DATA-DTXSID6021583; source_file=acute_oral.xlsx
NTP_ICE_acute_oral LD50 =3000 mg/kg bw Rat (Female) oral acute Rat Acute Oral Toxicity NLM Hazardous Substances Data Bank (undated); record_id=acute_oral_6454; row=10059; data_type=In Vivo; mixture=Chemical; chemical_name=2,3-Butanedione; preferred_name=2,3-Butanedione; dtxsid=DTXSID6021583; url=https://pubchem.ncbi.nlm.nih.gov/; url_comptox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; url_cebs=https://doi.org/10.22427/NTP-DATA-DTXSID6021583; source_file=acute_oral.xlsx
NTP_ICE_acute_oral LD50 =1580 mg/kg bw Rat oral acute Rat Acute Oral Toxicity NLM Hazardous Substances Data Bank (undated); record_id=acute_oral_6453; row=10060; data_type=In Vivo; mixture=Chemical; chemical_name=2,3-Butanedione; preferred_name=2,3-Butanedione; dtxsid=DTXSID6021583; url=https://pubchem.ncbi.nlm.nih.gov/; url_comptox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; url_cebs=https://doi.org/10.22427/NTP-DATA-DTXSID6021583; source_file=acute_oral.xlsx
NTP_ICE_cancer 2 endpoints
Source Endpoint Type Value Unit Species Route Duration Study Type Reference
NTP_ICE_cancer POLY-3 lowest dose 176.053169734151 mg/m3/day Rat Inhalation - In Vivo; Two year cancer bioassay sheet=Data; excel_row=6845; Record_ID=cancer_1584; Data_Type=In Vivo; Formulation_Name=2,3-Butanedione; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=Two year cancer bioassay; Endpoint=POLY-3 lowest dose; Response=176.05316973415134; Response_Unit=mg/m3/day; Species=Rat; Strain=Wistar Han; Sex=Male; Route=Inhalation; Level_of_Evidence=Some evidence; Tissue=Nasal cavity; Lesion=Squamous cell carcinoma; Reference=TR-593; URL=https://ntp.niehs.nih.gov/publications/reports/tr/500s/tr593/index.html; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_cancer Top dose 50 ppm Mouse Inhalation - In Vivo; NTP Carcinogenicity sheet=Data; excel_row=6846; Record_ID=cancer_1579; Data_Type=In Vivo; Formulation_Name=2,3-Butanedione; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=NTP Carcinogenicity; Endpoint=Top dose; Response=50; Response_Unit=ppm; Species=Mouse; Strain=B6C3F1; Sex=Male; Route=Inhalation; Reference=TR-593; URL=https://ntp.niehs.nih.gov/publications/reports/tr/500s/tr593/index.html; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization 29 endpoints
Source Endpoint Type Value Unit Species Route Duration Study Type Reference
NTP_ICE_skin_sensitization CD54, EC200 46.9 ug/mL - Dermal - In Vitro; hCLAT2015; h-CLAT sheet=Data_invitro; excel_row=3484; Record_ID=skin_sensitization_invitro_805; Data_Type=In Vitro; Internal_Data_Source=hCLAT2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=h-CLAT; Endpoint=CD54, EC200; Reported_Response=46.9; Reported_Response_Unit=ug/mL; Response=46.9; Response_Unit=ug/mL; Reference=Ashikaga et al. 2010; 20822320; 10.1177/026119291003800403|Nukada et al. 2012; 22796097; 10.1016/j.tiv.2012.07.001|Nukada et al. 2013; 23149339; 10.1016/j.tiv.2012.11.006; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization CD86, EC120 13.206 ug/mL - Dermal - In Vitro; Urbisch_SkinSensitization2020; mMUSST sheet=Data_invitro; excel_row=7786; Record_ID=skin_sensitization_invitro_1884; Data_Type=In Vitro; Internal_Data_Source=Urbisch_SkinSensitization2020; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=mMUSST; Endpoint=CD86, EC120; Reported_Response=153.4; Reported_Response_Unit=uM; Conversion_Factor_Value=86.09; Conversion_Factor_Source=EPA Dashboard; Converted_Response=13.206; Converted_Response_Unit=ug/mL; Response=13.206; Response_Unit=ug/mL; Reference=Urbisch et al. 2015; 25541156; 10.1016/j.yrtph.2014.12.008; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization CD86, EC150 27 ug/mL - Dermal - In Vitro; hCLAT2015; h-CLAT sheet=Data_invitro; excel_row=3472; Record_ID=skin_sensitization_invitro_803; Data_Type=In Vitro; Internal_Data_Source=hCLAT2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=h-CLAT; Endpoint=CD86, EC150; Reported_Response=27; Reported_Response_Unit=ug/mL; Response=27; Response_Unit=ug/mL; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization CD86, EC150 24.4 ug/mL - Dermal - In Vitro; hCLAT2015; h-CLAT sheet=Data_invitro; excel_row=3482; Record_ID=skin_sensitization_invitro_805; Data_Type=In Vitro; Internal_Data_Source=hCLAT2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=h-CLAT; Endpoint=CD86, EC150; Reported_Response=24.4; Reported_Response_Unit=ug/mL; Response=24.4; Response_Unit=ug/mL; Reference=Ashikaga et al. 2010; 20822320; 10.1177/026119291003800403|Nukada et al. 2012; 22796097; 10.1016/j.tiv.2012.07.001|Nukada et al. 2013; 23149339; 10.1016/j.tiv.2012.11.006; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization CD86, EC150 22 ug/mL - Dermal - In Vitro; Urbisch_SkinSensitization2020; U-SENS sheet=Data_invitro; excel_row=8229; Record_ID=skin_sensitization_invitro_2252; Data_Type=In Vitro; Internal_Data_Source=Urbisch_SkinSensitization2020; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=U-SENS; Endpoint=CD86, EC150; Reported_Response=255.5465211; Reported_Response_Unit=uM; Conversion_Factor_Value=86.09; Conversion_Factor_Source=EPA Dashboard; Converted_Response=22; Converted_Response_Unit=ug/mL; Response=22; Response_Unit=ug/mL; Reference=Urbisch et al. 2015; 25541156; 10.1016/j.yrtph.2014.12.008; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization CV75 208.3 ug/mL - Dermal - In Vitro; hCLAT2015; h-CLAT sheet=Data_invitro; excel_row=3473; Record_ID=skin_sensitization_invitro_803; Data_Type=In Vitro; Internal_Data_Source=hCLAT2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=h-CLAT; Endpoint=CV75; Reported_Response=208.3; Reported_Response_Unit=ug/mL; Response=208.3; Response_Unit=ug/mL; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization CV75 94 ug/mL - Dermal - In Vitro; hCLAT2015; h-CLAT sheet=Data_invitro; excel_row=3486; Record_ID=skin_sensitization_invitro_805; Data_Type=In Vitro; Internal_Data_Source=hCLAT2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=h-CLAT; Endpoint=CV75; Reported_Response=94; Reported_Response_Unit=ug/mL; Response=94; Response_Unit=ug/mL; Reference=Ashikaga et al. 2010; 20822320; 10.1177/026119291003800403|Nukada et al. 2012; 22796097; 10.1016/j.tiv.2012.07.001|Nukada et al. 2013; 23149339; 10.1016/j.tiv.2012.11.006; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Cys 75 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1290; Record_ID=skin_sensitization_invitro_347; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Cys; Reported_Response=75; Reported_Response_Unit=%; Response=75; Response_Unit=%; Reference=Nukada et al. 2013; 23149339; 10.1016/j.tiv.2012.11.006|Nukada personal communication (undated); URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Cys 92.8 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1297; Record_ID=skin_sensitization_invitro_348; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Cys; Reported_Response=92.8; Reported_Response_Unit=%; Response=92.8; Response_Unit=%; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Cys 79 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1305; Record_ID=skin_sensitization_invitro_350; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Cys; Reported_Response=79; Reported_Response_Unit=%; Response=79; Response_Unit=%; Reference=Gerberick et al. 2007; 17400584; 10.1093/toxsci/kfm064|Natsch et al. 2013; 23576290; 10.1002/jat.2868; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Lys 26.6 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1288; Record_ID=skin_sensitization_invitro_347; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Lys; Reported_Response=26.6; Reported_Response_Unit=%; Response=26.6; Response_Unit=%; Reference=Nukada et al. 2013; 23149339; 10.1016/j.tiv.2012.11.006|Nukada personal communication (undated); URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Lys 34.9 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1296; Record_ID=skin_sensitization_invitro_348; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Lys; Reported_Response=34.9; Reported_Response_Unit=%; Response=34.9; Response_Unit=%; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Lys 27 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1303; Record_ID=skin_sensitization_invitro_350; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Lys; Reported_Response=27; Reported_Response_Unit=%; Response=27; Response_Unit=%; Reference=Gerberick et al. 2007; 17400584; 10.1093/toxsci/kfm064|Natsch et al. 2013; 23576290; 10.1002/jat.2868; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Lys + Cys 51 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1292; Record_ID=skin_sensitization_invitro_347; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Lys + Cys; Reported_Response=51; Reported_Response_Unit=%; Response=51; Response_Unit=%; Reference=Nukada et al. 2013; 23149339; 10.1016/j.tiv.2012.11.006|Nukada personal communication (undated); URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Lys + Cys 63.85 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1299; Record_ID=skin_sensitization_invitro_348; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Lys + Cys; Reported_Response=63.85; Reported_Response_Unit=%; Response=63.85; Response_Unit=%; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Depletion Lys + Cys 53 % - Dermal - In Vitro; DPRA2015; DPRA sheet=Data_invitro; excel_row=1307; Record_ID=skin_sensitization_invitro_350; Data_Type=In Vitro; Internal_Data_Source=DPRA2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=DPRA; Endpoint=Depletion Lys + Cys; Reported_Response=53; Reported_Response_Unit=%; Response=53; Response_Unit=%; Reference=Gerberick et al. 2007; 17400584; 10.1093/toxsci/kfm064|Natsch et al. 2013; 23576290; 10.1002/jat.2868; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization EC1.5 141.9 uM - Dermal - In Vitro; KeratinoSens2015; KeratinoSens sheet=Data_invitro; excel_row=5815; Record_ID=skin_sensitization_invitro_1366; Data_Type=In Vitro; Internal_Data_Source=KeratinoSens2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=KeratinoSens; Endpoint=EC1.5; Reported_Response=141.91999999999999; Reported_Response_Unit=uM; Response=141.9; Response_Unit=uM; Reference=Natsch et al. 2013; 23576290; 10.1002/jat.2868; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization EC1.5 74 uM - Dermal - In Vitro; KeratinoSens2015; KeratinoSens sheet=Data_invitro; excel_row=5817; Record_ID=skin_sensitization_invitro_1367; Data_Type=In Vitro; Internal_Data_Source=KeratinoSens2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=KeratinoSens; Endpoint=EC1.5; Reported_Response=74; Reported_Response_Unit=uM; Response=74; Response_Unit=uM; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization EC1.5 <160.75 uM - Dermal - In Vitro; Urbisch_SkinSensitization2020; LuSens sheet=Data_invitro; excel_row=7592; Record_ID=skin_sensitization_invitro_1832; Data_Type=In Vitro; Internal_Data_Source=Urbisch_SkinSensitization2020; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=LuSens; Endpoint=EC1.5; Response_Modifier=<; Reported_Response_Modifier=<; Reported_Response=160.75; Reported_Response_Unit=uM; Response=160.75; Response_Unit=uM; Reference=Urbisch et al. 2015; 25541156; 10.1016/j.yrtph.2014.12.008; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization EC3 11 % Mouse Dermal - In Vivo; LLNAdb2013; LLNA sheet=Data_invivo; excel_row=13047; Record_ID=skin_sensitization_invivo_3018; Data_Type=In Vivo; Internal_Data_Source=LLNAdb2013; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=LLNA; Endpoint=EC3; Response=11; Response_Unit=%; Species=Mouse; Route=Dermal; Reference=Gerberick et al. 2005; 16536334; Not available; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization IC50 859.9 uM - Dermal - In Vitro; KeratinoSens2015; KeratinoSens sheet=Data_invitro; excel_row=5806; Record_ID=skin_sensitization_invitro_1366; Data_Type=In Vitro; Internal_Data_Source=KeratinoSens2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=KeratinoSens; Endpoint=IC50; Reported_Response=859.9; Reported_Response_Unit=uM; Response=859.9; Response_Unit=uM; Reference=Natsch et al. 2013; 23576290; 10.1002/jat.2868; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization IC50 922.2 uM - Dermal - In Vitro; KeratinoSens2015; KeratinoSens sheet=Data_invitro; excel_row=5808; Record_ID=skin_sensitization_invitro_1367; Data_Type=In Vitro; Internal_Data_Source=KeratinoSens2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=KeratinoSens; Endpoint=IC50; Reported_Response=922.2; Reported_Response_Unit=uM; Response=922.2; Response_Unit=uM; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization IC50 >400 uM - Dermal - In Vitro; Urbisch_SkinSensitization2020; LuSens sheet=Data_invitro; excel_row=7663; Record_ID=skin_sensitization_invitro_1832; Data_Type=In Vitro; Internal_Data_Source=Urbisch_SkinSensitization2020; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=LuSens; Endpoint=IC50; Response_Modifier=>; Reported_Response_Modifier=>; Reported_Response=400; Reported_Response_Unit=uM; Response=400; Response_Unit=uM; Reference=Urbisch et al. 2015; 25541156; 10.1016/j.yrtph.2014.12.008; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Imax 21.2 ratio - Dermal - In Vitro; KeratinoSens2015; KeratinoSens sheet=Data_invitro; excel_row=5810; Record_ID=skin_sensitization_invitro_1367; Data_Type=In Vitro; Internal_Data_Source=KeratinoSens2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=KeratinoSens; Endpoint=Imax; Reported_Response=21.2; Reported_Response_Unit=Unitless; Response=21.2; Response_Unit=Ratio; Reference=Bauch et al. 2012; 22659254; 10.1016/j.yrtph.2012.05.013; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Imax 37.2 ratio - Dermal - In Vitro; KeratinoSens2015; KeratinoSens sheet=Data_invitro; excel_row=5812; Record_ID=skin_sensitization_invitro_1366; Data_Type=In Vitro; Internal_Data_Source=KeratinoSens2015; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=KeratinoSens; Endpoint=Imax; Reported_Response=37.200000000000003; Reported_Response_Unit=Unitless; Response=37.2; Response_Unit=Ratio; Reference=Natsch et al. 2013; 23576290; 10.1002/jat.2868; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Imax 8.298 ratio - Dermal - In Vitro; Urbisch_SkinSensitization2020; LuSens sheet=Data_invitro; excel_row=7566; Record_ID=skin_sensitization_invitro_1832; Data_Type=In Vitro; Internal_Data_Source=Urbisch_SkinSensitization2020; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=LuSens; Endpoint=Imax; Reported_Response=8.297547977; Reported_Response_Unit=Unitless; Response=8.298; Response_Unit=Ratio; Reference=Urbisch et al. 2015; 25541156; 10.1016/j.yrtph.2014.12.008; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Incidence of positive responses 0 % Human Dermal - In Vivo; HPPT2020WIP; Human Maximization Test sheet=Data_invivo; excel_row=7213; Record_ID=skin_sensitization_invivo_1650; Data_Type=In Vivo; Internal_Data_Source=HPPT2020WIP; Concentration=2.0; Concentration_Units=%; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=Human Maximization Test; Endpoint=Incidence of positive responses; Response=0; Response_Unit=%; Species=Human; Route=Dermal; Reference=Epstein 1976: report to RIFM|Anonymous 1979; Not available; 10.1016/S0015-6264(79)80028-0; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Induction dose per skin area 1350 ug/cm2 Human Dermal - In Vivo; HPPT2020WIP; Human Maximization Test sheet=Data_invivo; excel_row=7211; Record_ID=skin_sensitization_invivo_1650; Data_Type=In Vivo; Internal_Data_Source=HPPT2020WIP; Concentration=2.0; Concentration_Units=%; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=Human Maximization Test; Endpoint=Induction dose per skin area; Response=1350; Response_Unit=ug/cm2; Species=Human; Route=Dermal; Reference=Epstein 1976: report to RIFM|Anonymous 1979; Not available; 10.1016/S0015-6264(79)80028-0; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
NTP_ICE_skin_sensitization Relative reliability score 3 unitless Human Dermal - In Vivo; HPPT2020WIP; Human Maximization Test sheet=Data_invivo; excel_row=7217; Record_ID=skin_sensitization_invivo_1650; Data_Type=In Vivo; Internal_Data_Source=HPPT2020WIP; Concentration=2.0; Concentration_Units=%; Mixture=Chemical; DTXSID=DTXSID6021583; Assay=Human Maximization Test; Endpoint=Relative reliability score; Response=3; Response_Unit=Unitless; Species=Human; Route=Dermal; Reference=Epstein 1976: report to RIFM|Anonymous 1979; Not available; 10.1016/S0015-6264(79)80028-0; URL_CompTox=https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021583; URL_CEBS=https://doi.org/10.22427/NTP-DATA-DTXSID6021583
ToxValDB_EFSA 1 endpoint
Source Endpoint Type Value Unit Species Route Duration Study Type Reference
ToxValDB_EFSA NOAEL =90 mg/kg bw/day Rat oral subchronic; 90 days subchronic LONG_REF=EFSA FEEDAP (2016). Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species. doi:10.2903/j.efsa.2016.4618.; TITLE=Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species; AUTHOR=EFSA FEEDAP; DOI=doi:10.2903/j.efsa.2016.4618; STORED_SOURCE_RECORD=https://clowder.edap-cluster.com/files/65201d30e4b0f0a60ddd1165; RECORD_SOURCE_LEVEL=Extraction document; SOURCE_URL=https://zenodo.org/record/5076033#.Y9fEoXbMI2z; YEAR=2016; ORIGINAL_YEAR=2016; TOXICOLOGICAL_EFFECT=mortality; TOXICOLOGICAL_EFFECT_CATEGORY=mortality/survival; STUDY_GROUP=EFSA:15622162:M/F:--; QC_CATEGORY=Programmatically extracted from structured data source; Source overall passed QC, but this record was not manually checked; QC_STATUS=not determined; SOURCE_HASH=ToxValhc_d193f7869bb84949e5a6bc30ee4e7487
openFDA substances 4 endpoints
Source Endpoint Type Value Unit Species Route Duration Study Type Reference
openFDA substances FDA UNII substance identifier K324J5K4HM UNII - - - chemical {"approval_status":null,"molecular_formula":"C4H6O2","source_table":"substance_identifiers_fda","substance_class":"chemical","unii_code":"K324J5K4HM"}
openFDA substances FDA UNII substance identifier K324J5K4HM UNII - - - chemical {"approval_status":null,"molecular_formula":"C4H6O2","source_table":"substance_identifiers_fda","substance_class":"chemical","unii_code":"K324J5K4HM"}
openFDA substances FDA UNII substance identifier K324J5K4HM UNII - - - chemical {"approval_status":null,"molecular_formula":"C4H6O2","source_table":"substance_identifiers_fda","substance_class":"chemical","unii_code":"K324J5K4HM"}
openFDA substances FDA UNII substance identifier K324J5K4HM UNII - - - chemical {"approval_status":null,"molecular_formula":"C4H6O2","source_table":"substance_identifiers_fda","substance_class":"chemical","unii_code":"K324J5K4HM"}