Basic information
- CAS
27751-90-2- Standard SMILES
CCC(=O)OCC=C(C)CCC=C(C)C- InChIKey
BYCHQEILESTMQU-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Overview
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate has been reported in Thymus camphoratus with data available.
Names & identifiers
- Preferred name
- 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate
- IUPAC
- 3,7-dimethylocta-2,6-dienyl propanoate
Names & synonyms
27751-90-23,7-dimethylocta-2,6-dienyl propanoate2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoateDTXSID108591872,6-Octadien-1-ol, 3,7-dimethyl-, propanoateNSC 461383,7-Dimethyl-2,6-octadien-1-yl, propanoateRefChem:83375DTXCID50809666Geranyl Propionate 60%Geranyl propionate, naturalGeranyl propionate Pure
Show more names
Geranyl propionate Natural2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-SCHEMBL356537BYCHQEILESTMQU-UHFFFAOYSA-NDB-040663DB-0406643,7-dimethylocta-2,6-dien-1-yl propanoate
Database identifiers
- CAS
27751-90-2- PubChem CID
- 7782
- DTXSID
DTXSID10859187
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
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: 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate
Other Safety InformationIMAP assessments - Simple esters of geraniol and nerol: Human health tier II assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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