Is Trimethylhexyl Acetate safe in cosmetics?
Trimethylhexyl Acetate has a safety rating of "GOOD" in our database. EU status: permitted. US status: permitted. 4 toxicological study endpoint(s) are available in our database.
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)
INCI: TRIMETHYLHEXYL ACETATE
Trimethylhexyl Acetate (CAS 58430-94-7) is a cosmetic cosmetic ingredient functioning as Perfuming. NOAEL 80 mg/kg bw/day (cross-referenced against ToxValDB ECHA IUCLID); EU Regulation 1223/2009 status: permitted. Industrial safety data is also available in the chemical safety database. Same-CAS public records also appear in industrial chemical safety and pharmaceutical data.
View industrial chemical safety profile for CAS 58430-94-7 →
Auto-generated CPSR Part A draft with source citations
Function
Perfuming
Safety Rating
GOOD
Chemistry & Identifiers
IUPAC Name
3,5,5-trimethylhexyl acetate
InChIKey
DGKXDLCVQSQVBC-UHFFFAOYSA-N
Regulatory Status
EU EU Status
permitted
US US Status
permitted
US Notes
Permitted for cosmetic use as fragrance ingredient
For full compliance data across multiple jurisdictions, use the Substance Compliance tool.
Safety Data
Margin of Safety, dermal absorption, and sensitization profile summaries for Trimethylhexyl Acetate.
Calculate MoS for your specific formulation with the MoS Calculator.
Toxicological Studies
4 study endpoints found for Trimethylhexyl Acetate. NOAEL (No Observed Adverse Effect Level) values are used to calculate the Margin of Safety per SCCS methodology.
| Endpoint | Value | Route | Species | Study Type | Source |
|---|---|---|---|---|---|
| NOAEL | =40 mg/kg bw/day | oral | Rat | reproduction developmental | ToxValDB_ECHA_IUCLID |
| NOAEL | =80 mg/kg bw/day | oral | Rat | subchronic | ToxValDB_ECHA_IUCLID |
| NOAEL | =250 mg/kg bw/day | oral | Rat | developmental | ToxValDB_ECHA_IUCLID |
| NOAEL | =400 mg/kg bw/day | oral | Rat | short-term | ToxValDB_ECHA_IUCLID |
Pre-Calculated Safety Assessment
Pre-calculated NOAEL → SED → MoS audit trail for Trimethylhexyl Acetate across SCCS product categories, with measured dermal absorption where available.
Sensitization AOP Dashboard
Adverse Outcome Pathway data across 5 assays (DPRA, KeratinoSens, hCLAT, LLNA, NESIL) aggregated from public sources.
NESIL
2592 µg/cm²
GHS: 1B
Human: positive
Source: HPPT: [3] Kligman AM (1973): Report to RIFM, 10 July, unpublished.
HRIPT Human Patch Test Studies
3 human repeat insult patch tests aggregated from dermatological literature.
| Test Type | N | Sensitized | Dose µg/cm² | NESIL µg/cm² | Potency |
|---|---|---|---|---|---|
| HMT | - | 0 | 2592 | - | - |
| HMT | - | 0 | 2592 | - | - |
| HMT | - | 0 | 2592 | - | - |
ECHA REACH Registration
European Chemicals Agency REACH dossier and Substances of Very High Concern listing.
Registration Type
Full
Tonnage Band
1,000 - 10,000 tonnes
Substance Type
SUBSTANCE
SVHC Candidate
No
Function Categories & List Membership
Cosmetic/Chemical Function Categories
Flavouring and nutrient
Fragrance
Regulatory List Membership (1)
IFRA Fragrance Transparency List
Expert Verdict
Expert safety assessment and concern-level summary for Trimethylhexyl Acetate.
Regulatory Flags
fragrance-component
ifra_fragrance
NOAEL Studies Summary
View details ->Public NOAEL study rows linked to Trimethylhexyl Acetate by CAS number or substance name.
Studies
4
Lowest NOAEL
40 mg/kg bw/day
Highest NOAEL
400 mg/kg bw/day
ToxValDB_ECHA_IUCLID
Known Synonyms
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
EINECS 261-245-9
Isononyl acetate
Nonanyl acetate
3,5,5-Trimethylhexan-1-ol acetate
3,5,5-Trimethyl-1-hexanol acetate
3,5,5-Trimethyl-1-hexanol, acetate
Chemical Function
Fragrance
Flavouring and nutrient
Regulatory Lists
IFRA Transparency
Europe
inert_ingredient; non_food_use; Pesticides
Australian Status
AICIS status: listed
Cross-Vertical Safety Context
Same-CAS public records found in pharmaceutical data.
SOURCE
ChEMBL / DrugCentral / FAERS
DB_PHARMA CAS match
Pharmaceutical Data
Same-CAS rows from the pharmaceutical spoke database.
ChEMBL ID
CHEMBL3188283
Frequently Asked Questions
Is Trimethylhexyl Acetate allowed in the EU?
Trimethylhexyl Acetate EU regulatory status: permitted. This is based on EU Regulation 1223/2009 and its amendments.
What does Trimethylhexyl Acetate do in cosmetics?
Trimethylhexyl Acetate functions as: Perfuming. It is classified as a cosmetic ingredient in our database. CAS number: 58430-94-7.
What is the NOAEL for Trimethylhexyl Acetate?
The NOAEL (No Observed Adverse Effect Level) for Trimethylhexyl Acetate is =40 mg/kg bw/day based on a reproduction developmental study via oral route in Rat. A total of 4 study endpoints are available. Source: ToxValDB_ECHA_IUCLID.
Is Trimethylhexyl Acetate used outside cosmetics?
Trimethylhexyl Acetate also appears in industrial chemical safety and pharmaceutical data. The cross-vertical cards on this page render same-CAS public rows from the matched databases.
Compliance Tools
Check Trimethylhexyl Acetate compliance across multiple jurisdictions:
Ingredient Decoder
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82 Allergen Checker
Check for EU declarable fragrance allergens
Substance Compliance
Check compliance across multiple jurisdictions
MoS Calculator
Calculate Margin of Safety using SCCS methodology
Heavy Metal Limits
Compare limits across jurisdictions
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