What is the NOAEL for 3,5,5-Trimethylhexyl acetate?
3,5,5-Trimethylhexyl acetate has 19 NOAEL studies in the database. The lowest reported value is 5 % via Dermal in Human. Source: NTP_ICE_skin_sensitization.
NOAEL Data
REACH Registered
Cosmetic Ingredient
3,5,5-Trimethylhexyl acetate
Also known as: 1-Hexanol, 3,5,5-trimethyl-, acetate, 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, Acetic acid, 3,5,5-trimethylhexyl ester, 4-02-00-00168, BRN 1758391 (+6 more)
CAS 58430-94-7
3,5,5-Trimethylhexyl acetate (CAS 58430-94-7) is a chemical substance. Key regulatory status: REACH registered, 3 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from EPA ToxValDB, EPA CPDat, AICIS, ECHA REACH.
SOURCE
noael studies public
NOAEL studies
19
SOURCE
chemical inventory jurisdictions
Regulatory lists
3
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
17 fields
Name
3,5,5-Trimethylhexyl acetate
CAS Number
58430-94-7
DTXSID
DTXSID0041270
Molecular Formula
C11H22O2
InChI Key
DGKXDLCVQSQVBC-UHFFFAOYSA-N
Monoisotopic Mass
186.16198
Synonyms
1-Hexanol, 3,5,5-trimethyl-, acetate1-Hexanol, 3,5,5-trimethyl-, 1-acetateAcetic acid, 3,5,5-trimethylhexyl ester4-02-00-00168BRN 1758391EINECS 261-245-9Isononyl acetateNonanyl acetate3,5,5-Trimethylhexan-1-ol acetate3,5,5-Trimethyl-1-hexanol acetate3,5,5-Trimethyl-1-hexanol, acetate
Functional Uses
Industrial and product-use categories associated with this substance.
SOURCE
EPA CPDat
60 records
FragranceFlavouring and nutrient
Regulatory Lists
Inventory, screening, and regulatory list matches from public chemical databases.
SOURCE
EPA CPDat
3 records
| List | Keyword | Source |
|---|---|---|
| IFRA Transparency | IFRA | IFRA |
| Europe | European Commission | Fl@vis |
| inert_ingredient; non_food_use; Pesticides | EPA | CPCat |
NOAEL Studies
Toxicology endpoints rendered from public NOAEL study rows.
SOURCE
NOAEL studies
Showing 19 of 19 studies
| Value | Unit | Endpoint | Route | Species | Source |
|---|---|---|---|---|---|
| 5 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP_ICE_skin_sensitization |
| =5.64 | mg/m3 | DNEL systemic | inhalation | Human | ToxValDB_GESTIS_DNEL |
| 9HMD71U17Z | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 9HMD71U17Z | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 9HMD71U17Z | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 9HMD71U17Z | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| - | % | Incidence of positive responses | Dermal | Human | NTP_ICE_skin_sensitization |
| 4 | % | Incidence of positive responses | Dermal | Human | NTP_ICE_skin_sensitization |
| 2592 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP_ICE_skin_sensitization |
| 3240 | ug/cm2 | Induction dose per skin area, 5% incidence of positive responses | Dermal | Human | NTP_ICE_skin_sensitization |
| =4250 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| =250 | mg/kg bw/day | LOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| - | unitless | Model Score | - | - | NTP_ICE_endocrine |
| =40 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| =80 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| =250 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| =400 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| =40 | mg/kg bw/day | NOEL | oral | Rat | ToxValDB_ECHA_IUCLID |
| 3 | unitless | Relative reliability score | Dermal | Human | NTP_ICE_skin_sensitization |
Showing 19 of 19 studies
REACH Registration
Registration status from the ECHA REACH registered substances database.
SOURCE
ECHA (EU)
1 records
| Status | Name | EC Number | Link |
|---|---|---|---|
| Registered | 3,5,5-trimethylhexyl acetate | 261-245-9 | 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
Fragrance
Pharmaceutical Data
Same-CAS pharmaceutical records from drug and bioactivity sources.
SOURCE
EMBL-EBI ChEMBL
CHEMBL3188283
ChEMBL Phase
Not listed
Adverse Events
0
Bioactivity
0
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 3,5,5-Trimethylhexyl acetate?
3,5,5-Trimethylhexyl acetate appears on 3 regulatory/inventory lists including IFRA Transparency, Europe, inert_ingredient; non_food_use; Pesticides. Source: EPA CPDat.
Is 3,5,5-Trimethylhexyl acetate used in cosmetics?
Yes, 3,5,5-Trimethylhexyl acetate is also indexed as a cosmetic ingredient under the name Trimethylhexyl Acetate. 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 3,5,5-Trimethylhexyl acetate 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.
Is 3,5,5-Trimethylhexyl acetate used outside industrial chemicals?
3,5,5-Trimethylhexyl acetate also appears in cosmetics, pharmaceutical, cannabis databases.