Trimethylhexanal

Also known as: 4-01-00-03362, BRN 1740882, tert-Butylisopentanal, EINECS 226-603-0, FEMA No. 3524 (+6 more)

INCI: TRIMETHYLHEXANAL

Trimethylhexanal (CAS 5435-64-3) is a cosmetic cosmetic ingredient functioning as Perfuming / masking agent. NOAEL 250 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 5435-64-3 →

Auto-generated CPSR Part A draft with source citations
Function
Perfuming / masking agent
Safety Rating
GOOD

Chemistry & Identifiers

Formula
C9H18O
MW
142.24 g/mol
EC Number
226-603-0
PubChem CID
21574
IUPAC Name
3,5,5-trimethylhexanal
InChIKey
WTPYRCJDOZVZON-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 Trimethylhexanal.

Calculate MoS for your specific formulation with the MoS Calculator.

Pre-Calculated Safety Assessment

Pre-calculated NOAEL → SED → MoS audit trail for Trimethylhexanal across SCCS product categories, with measured dermal absorption where available.

HRIPT Human Patch Test Studies

1 human repeat insult patch test aggregated from dermatological literature.

Test Type N Sensitized Dose µg/cm² NESIL µg/cm² Potency
HMT - 0 2700 - -

ECHA REACH Registration

European Chemicals Agency REACH dossier and Substances of Very High Concern listing.

Registration Type
Full
Tonnage Band
100 - 1,000 tonnes
Substance Type
SUBSTANCE
SVHC Candidate
No

PubChem Annotations

Safety and regulatory annotations from PubChem (NCBI) aggregated sources.

Safety (1)
Skin Eye Respiratory Irritation
Irritating to eyes, respiratory system and skin.
Source: Hazardous Substances Data Bank (HSDB)
Regulatory (2)
JECFA Number
269
Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
JECFA Evaluation
3,5,5-TRIMETHYLHEXANAL | 1997 | No safety concern at current levels of intake when used as a flavouring agent | TRS 884-JECFA 49/37 | FAS 40-JECFA 49/189
Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)

Function Categories & List Membership

Cosmetic/Chemical Function Categories
Flavouring and nutrient Fragrance
Regulatory List Membership (2)
IFRA Fragrance Transparency List FDA Substances Added to Food (EAFUS)

Expert Verdict

Expert safety assessment and concern-level summary for Trimethylhexanal.

Regulatory Flags

fragrance-component ifra_fragrance fda_food_additive

Known Synonyms

4-01-00-03362 BRN 1740882 tert-Butylisopentanal EINECS 226-603-0 FEMA No. 3524 Hexanal, 3,5,5-trimethl- Isononylaldehyde NSC 21482 3,5,5-Trimethylcapronaldehyde UNII-U62H30BXPJ Hexanal, 3,5,5-trimethyl-

Chemical Function

Fragrance Flavouring and nutrient

Regulatory Lists

air; detected; emissions; Europe; Toys and children's products IFRA Transparency Europe food_additive; Substances Added to Food (formerly EAFUS) (2/2019)

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
CHEMBL3185108
View full pharmaceutical profile →

Frequently Asked Questions

Is Trimethylhexanal safe in cosmetics?

Trimethylhexanal has a safety rating of "GOOD" in our database. EU status: permitted. US status: permitted.

Is Trimethylhexanal allowed in the EU?

Trimethylhexanal EU regulatory status: permitted. This is based on EU Regulation 1223/2009 and its amendments.

What does Trimethylhexanal do in cosmetics?

Trimethylhexanal functions as: Perfuming / masking agent. It is classified as a cosmetic ingredient in our database. CAS number: 5435-64-3.

Is Trimethylhexanal used outside cosmetics?

Trimethylhexanal 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.

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