Definition
US FDA substance register · UNII F32WFZ5HGW · registered name 3,7-DIMETHYLOCTANAL · 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
- 5988-91-0
- EC No.EU chemical inventory number
- 227-810-9
- DTXSIDUS EPA chemical ID
- DTXSID4044826
- DTXCIDUS EPA compound ID
- DTXCID2024826
- IUPAC
- 3,7-Dimethyloctanal
- Molecular formula
- C10H20O
- Molecular weight
- 156.269 g/mol
Measured properties
- Appearance
- Liquid · Clear colourless to pale yellow solution, Onion aroma with fruity undertones
- Boiling point
- 197.00 to 198.00 °C. @ 760.00 mm Hg · 270-272º
- Solubility
- 13 mg/L @ 20 °C (exp) · Practially insoluble to insoluble in water
- Density
- 1.085-1.095
- Water solubility
- 58.11 ㎎/ℓ
- n-Octanol/water partition coefficient (Kow)
- 3.62
- Molecular weight
- 156.30
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 9 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.
- Fragrance8
- Flavouring and nutrient1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
3 skin studies and 0 eye studies are on record.
The studies disagree (the most common conclusion covers 50%), 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 3 studies
- SkinIrr2
Skin Irritation · QSAR Predicted - Moderate or Mild Irritation
skin irritation: in vivo · Screening · EU Method B.4 (Acute Toxicity: Dermal Irritation / Corrosion) equivalent or similar to - Not likely to be sensitizing
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) according to EU Method B.42 (Skin Sensitisation: Local Lymph Node Assay)
Source: US EPA CompTox dashboard
Linked databases 13
- 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
- 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