Definition
US FDA substance register · UNII 9HMD71U17Z · registered name 3,5,5-TRIMETHYLHEXYL ACETATE · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 58430-94-7
- EC No.EU chemical inventory number
- 261-245-9
- DTXSIDUS EPA chemical ID
- DTXSID0041270
- DTXCIDUS EPA compound ID
- DTXCID8021270
- IUPAC
- 3,5,5-Trimethylhexyl acetate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.295 g/mol
Measured properties
- Appearance
- Isononyl acetate appears as a clear colorless liquid with a sweet ester odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may cause irritation and dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness. Vapors are anesthetic and may have other central nervous system effects. Vapors ma · Liquid, Other Solid, CBI
- Initial boiling point and range
- &, lt, 193.2 ℃
- Flash point
- &, lt, 79 ℃
- Vapour pressure
- 136 ㎩
- Water solubility
- 19.1 ㎎/ℓ
- n-Octanol/water partition coefficient (Kow)
- 4.6
- Viscosity
- 1.81 mPa S
- Molecular weight
- 186.29
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 117 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance114
- Deodorizer2
- Flavouring and nutrient1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
3 skin studies and 2 eye studies are on record.
The studies disagree (the most common conclusion covers 33%), so they do not establish that this ingredient is irritating. These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 5 studies
- Severe Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Category 6.3A (Category 2)
Skin Irritation · Read Across - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · equivalent or similar to OECD Guideline 406 (Skin Sensitisation) - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to
Source: US EPA CompTox dashboard
Related literature
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- Tlooto literature search
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata