3,7-dimethyl-3-octanol is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.
Definition
3,7-dimethyl-3-octanol is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a medium-chain fatty alcohol, a tertiary alcohol and an alkyl alcohol.
Source: PubChem
US FDA substance register · UNII UM4XS5M134 · registered name TETRAHYDROLINALOOL · 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
- 78-69-3
- EC No.EU chemical inventory number
- 201-133-9
- DTXSIDUS EPA chemical ID
- DTXSID7029110
- DTXCIDUS EPA compound ID
- DTXCID409110
- IUPAC
- 3,7-Dimethyloctan-3-ol
- Molecular formula
- C10H22O
- Molecular weight
- 158.285 g/mol
Measured properties
- Appearance
- liquid
- Melting/freezing point
- 31.5 ℃
- Initial boiling point and range
- 196.5 ℃
- Flash point
- 76 ℃
- Vapour density
- 0.823~0.829
- n-Octanol/water partition coefficient (Kow)
- 3.60
- Molecular weight
- 158.28
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: KOSHA safety data sheets (Korea)
What products actually use it for
What the 160 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.
- Fragrance154
- Flavouring and nutrient4
- Deodorizer2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
4 skin studies and 1 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 5 studies
- SkinIrr2
Skin Irritation · QSAR Predicted - Classification not possible
Skin Sensitization · Screening - Category 2
Skin Irritation · Screening - Low to Moderate Frequency of Sensitization
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) July 22, 2010 - Category 2A
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- 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