1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-propanoate
Basic information
- CAS
7149-34-0- Standard SMILES
C=CC(C)(CCC=C(C)CCC=C(C)C)OC(=O)CC- InChIKey
NPSBIIPKEQTFPA-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-propanoate
- IUPAC
- 3,7,11-trimethyldodeca-1,6,10-trien-3-yl propanoate
- English name
- 3,7,11-trimethyldodeca-1,6,10-trien-3-yl propionate
- Molecular formula
- C18H30O2
- Molecular weight
- 278.4296
Names & synonyms
7149-34-0EINECS 230-475-1NSC 720371,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, propanoate1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-propanoateDTXSID70884359RefChem:73557DTXCID701023804Nerolidyl propionate3,7,11-trimethyldodeca-1,6,10-trien-3-yl propanoate3,7,11-Trimethyldodeca-1,6,10-trien-3-yl propionateSCHEMBL30883182
Show more names
3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol propionate
NPSBIIPKEQTFPA-UHFFFAOYSA-NNS00043845Q67880020
Database identifiers
- CAS
7149-34-0- PubChem CID
- 81573
- DTXSID
DTXSID70884359- EC Number
- 230-475-1
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Odor
- 100 % · at 100.00%. floral
- LogP
- 6.303 · 6.303 (est)
- EPA Substance Registry System
- 1 · 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, propanoate (7149-34-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, propanoate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-propanoate: INACTIVE
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Related reactions
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Compound notes
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