Basic information
- CAS
67874-80-0- Standard SMILES
CCCC(=O)OCCC(C)CCCC(C)C- InChIKey
MHOJKRQFONEPRN-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- Butanoic acid, 3,7-dimethyloctyl ester
- IUPAC
- 3,7-dimethyloctyl butanoate
- English name
- 3,7-dimethyloctyl butyrate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
67874-80-0BUTANOIC ACID, 3,7-DIMETHYLOCTYL ESTER3,7-Dimethyloctanyl butyrateEINECS 267-508-4BRN 1772718DTXSID30886995RefChem:571404DTXCID901026311Tetrahydrogeranyl butyrate3,7-dimethyloctyl butanoate3,7-Dimethyloctyl butyrateSCHEMBL2421195
Show more names
3,7-Dimethyloctylbutyratdimethyl octanyl butyrate3,7-DIMETHYLOCTANYLBUTYRATE3,7-Dimethyl-1-octanyl butyrateButyric acid 3,7-dimethyloctyl ester
MHOJKRQFONEPRN-UHFFFAOYSA-NNS00012233
Database identifiers
- CAS
67874-80-0- PubChem CID
- 49988
- DTXSID
DTXSID30886995- EC Number
- 267-508-4
- Nikkaji
- J70.057F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 5.568 · 5.568 (est)
- EPA Substance Registry System
- Tetrahydrogeranyl butyrate (67874-80-0)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers2 total
吉良化学21-62165282 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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