What is the NOAEL for 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate?
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate has 17 NOAEL studies in the database. The lowest reported value is 9.95 uL/min/10^6 cells in Human. Source: NTP_ICE_adme_parameters.
NOAEL Data
REACH Registered
Cosmetic Ingredient
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
Also known as: Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, BRN 1878083, EINECS 229-934-9, 2,2,4-Trimethylpentanediol-1,3-diisobutyrate, UNII-4KZA479DWQ
CAS 6846-50-0
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate (CAS 6846-50-0) is a chemical substance. Key regulatory status: REACH registered, 8 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from EPA ToxValDB, EPA CPDat, AICIS, ECHA REACH.
Cross-Vertical Regulatory Divergence
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate is classified GHS CMR hazard (H361, H412, H401) in the chemicals database but is allowed in EU cosmetics.
SOURCE
Cross-vertical comparison
Cosmetics: ingredients.eu_status; Chemicals: ghs_classifications.signal_word/hazard_statement_code
SOURCE
noael studies public
NOAEL studies
17
SOURCE
chemical inventory jurisdictions
Regulatory lists
8
SOURCE
eu clp annex vi
GHS signal
Not classified
Chemical Identity
CAS, identifiers, formula, and alternate names for the matched substance record.
SOURCE
DSSTox identifiers
11 fields
Name
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
CAS Number
6846-50-0
DTXSID
DTXSID1027635
Molecular Formula
C16H30O4
InChI Key
OMVSWZDEEGIJJI-UHFFFAOYSA-N
Monoisotopic Mass
286.214409
Synonyms
Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl esterBRN 1878083EINECS 229-934-92,2,4-Trimethylpentanediol-1,3-diisobutyrateUNII-4KZA479DWQ
Functional Uses
Industrial and product-use categories associated with this substance.
SOURCE
EPA CPDat
34 records
PlasticizerBinderProcessing aids not otherwise specifiedFragranceFilm formerSolvent
Regulatory Lists
Inventory, screening, and regulatory list matches from public chemical databases.
SOURCE
EPA CPDat
8 records
| List | Keyword | Source |
|---|---|---|
| Indirect additives food contact (10/2018) | FDA | United States Food and Drug Administration (FDA) |
| inert_ingredient; non_food_use; Pesticides | EPA | CPCat |
| air; Cons electronics mech appliances and machinery; detected; emissions; Europe | Danish Environmental Protection Agency | Danish EPA |
| detected; Europe; Toys and children's products | Danish Environmental Protection Agency | Danish EPA |
| detected; Europe; Toys and children's products | Danish Environmental Protection Agency | Danish EPA |
| IFRA Transparency | IFRA | IFRA |
| detected; Europe; Other direct contact consumer goods | Danish Environmental Protection Agency | Danish EPA |
| detected; Europe; Other direct contact consumer goods | Danish Environmental Protection Agency | Danish EPA |
NOAEL Studies
Toxicology endpoints rendered from public NOAEL study rows.
SOURCE
NOAEL studies
Showing 17 of 17 studies
| Value | Unit | Endpoint | Route | Species | Source |
|---|---|---|---|---|---|
| 38.1083550514171 | uM | AC50 | - | - | NTP_ICE_endocrine |
| 21.7940613091771 | uM | ACC | - | - | NTP_ICE_endocrine |
| 9.95 | uL/min/10^6 cells | Clint | - | Human | NTP_ICE_adme_parameters |
| =17.62 | mg/m3 | DNEL systemic | inhalation | Human | ToxValDB_GESTIS_DNEL |
| 4KZA479DWQ | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 4KZA479DWQ | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 4KZA479DWQ | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 4KZA479DWQ | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 9.42e-7 | fraction | Fu | - | Human | NTP_ICE_adme_parameters |
| >2000 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| >3200 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| 0.10000000149 | % | LOAEL | oral | rat | COSMOS_DB |
| 0.34999999404 | % | LOAEL | oral | dog | COSMOS_DB |
| - | unitless | Model Score | - | - | NTP_ICE_endocrine |
| 0.0272 | unitless | Model Score | - | - | NTP_ICE_endocrine |
| =1000 | mg/kg bw/day | NEL | oral | Rabbit | ToxValDB_EPA_TSCA_8e |
| 0.10000000149 | % | NOAEL | oral | dog | COSMOS_DB |
Showing 17 of 17 studies
REACH Registration
Registration status from the ECHA REACH registered substances database.
SOURCE
ECHA (EU)
1 records
| Status | Name | EC Number | Link |
|---|---|---|---|
| Registered | 1-isopropyl-2,2-dimethyltrimethylene diisobutyrate | 229-934-9 | ECHA overview → |
Australian Status (AICIS)
Australian industrial chemicals inventory status and applicable conditions.
SOURCE
AICIS inventory
1 records
Inventory Status
listed
Cosmetic Safety Profile
Same-CAS cosmetic ingredient record for cross-vertical context.
SOURCE
CosIng / Ingredients DB
EU Status
permitted
Max
-
Category
Emollient
Pharmaceutical Data
Same-CAS pharmaceutical records from drug and bioactivity sources.
SOURCE
EMBL-EBI ChEMBL
CHEMBL3183335
ChEMBL Phase
Not listed
Adverse Events
0
Bioactivity
1
Cannabis Data
Same-CAS cannabis compliance and lab records where available.
SOURCE
Cannabis regulatory / lab data
efsa substances
1 cannabis record found in efsa substances.
View full cannabis profile →Frequently Asked Questions
What regulatory lists include 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate?
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate appears on 6 regulatory/inventory lists including Indirect additives food contact (10/2018), inert_ingredient; non_food_use; Pesticides, air; Cons electronics mech appliances and machinery; detected; emissions; Europe, and 3 more. Source: EPA CPDat.
Is 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate used in cosmetics?
Yes, 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate is also indexed as a cosmetic ingredient under the name Triisopropyl Citrate. View the full cosmetic safety profile on the ingredient page for detailed safety data, SCCS opinions, and regulatory status.
Where does the safety data for 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate come from?
Safety data is sourced from EPA ToxValDB, EPA CPDat, AICIS (Australian Industrial Chemicals Introduction Scheme), EPA DSSTox, ECHA REACH, CosIng / Ingredients DB, ChEMBL / DailyMed, cannabis regulatory/lab databases. All data traces to primary regulatory sources and is updated from official government databases.
Does 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate have different safety status in cosmetics vs industrial chemicals?
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate is classified GHS CMR hazard (H361, H412, H401) in the chemicals database but is allowed in EU cosmetics.
Is 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate used outside industrial chemicals?
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate also appears in cosmetics, pharmaceutical, cannabis databases.