(E)-3,7-Dimethyl-2,6-octadienyl butyrate is a carboxylic ester.
Definition
(E)-3,7-Dimethyl-2,6-octadienyl butyrate is a carboxylic ester.
Source: PubChem
US FDA substance register · UNII 69AVH8L7KL · registered name GERANYL BUTYRATE · 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
- 106-29-6
- EC No.EU chemical inventory number
- 203-381-3
- DTXSIDUS EPA chemical ID
- DTXSID1047152
- DTXCIDUS EPA compound ID
- DTXCID9027152
- IUPAC
- (2E)-3,7-Dimethylocta-2,6-dien-1-yl butanoate
- Molecular formula
- C14H24O2
- Molecular weight
- 224.344 g/mol
Measured properties
- Appearance
- colourless to pale yellow liquid/fruity, rose-like odour · liquid
- Boiling point
- 243 °C
- Solubility
- soluble in alcohol, most fixed oils, insoluble in glycerol, propylene glycol, water · 1 ml in 6 ml 80% alcohol (in ethanol)
- Density
- 0.889-0.904
- Initial boiling point and range
- 151 ℃(18㎜Hg)
- Flash point
- &, gt, 100 ℃
- Vapour pressure
- 1 ㎜Hg (96.8℃)
- Water solubility
- 0.2949 ㎎/ℓ
- Relative density
- 0.9008
- Molecular weight
- 224.34
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 10 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.
- Fragrance7
- Flavouring and nutrient2
- No specific technical function1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
2 skin studies and 3 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
- Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: as mentioned below according to - Not likely to be sensitizing
skin sensitisation · Screening · according to other guideline: as mentioned below - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · other guideline: Draize method equivalent or similar to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · other guideline: as mentioned below equivalent or similar to - Studies Indicate No Significant Irritation
eye irritation: in vitro / ex vivo · Screening · other guideline: OECD Guideline 492 (Reconstructed Human Cornea-like Epithelium (RhCE) Test Method for Identifying Chemicals Not Requiring Classification and Labelling for Eye Irritation or Serious Eye Damage) according to
Source: US EPA CompTox dashboard
Related literature
- Bioproduction of Geranyl Esters by Integrating Microbial Biosynthesis and Enzymatic Conversion. · 2024
- Safety and efficacy of α,β‐unsaturated straight‐chain and branched‐chain aliphatic primary alcohols, aldehydes, acids and esters belonging to chemical group 3 when used as flavourings for all animal species · 2016
Linked databases 16
- 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 2
- Tlooto literature search 2
- 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
- Wikipedia · Chinese