Basic information
- Standard SMILES
CCCC/C=C/CCO- InChIKey
YDXQPTHHAPCTPP-AATRIKPKSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
(E)-3-Octen-1-ol is an aliphatic alcohol.
Names & identifiers
- Preferred name
- trans-3-Octen-1-ol
- IUPAC
- (E)-oct-3-en-1-ol
- English name
- (E)-oct-3-en-1-ol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
3-Octen-1-ol, (3E)-20125-85-3trans-3-Octen-1-OlDTXSID40885116RefChem:1100234DTXCID30211349243-534-1(E)-Oct-3-en-1-ol(E)-3-Octen-1-ol(3E)-oct-3-en-1-oloct-3-en-1-ol(3E)-3-Octen-1-ol
Show more names
3-Octen-1-ol, (E)-EINECS 242-071-2EINECS 243-534-1trans-oct-3-en-1-olAI3-07194SCHEMBL1129182SCHEMBL5166346CHEBI:168692
Database identifiers
- CAS
18185-81-4、20125-85-3- PubChem CID
- 5364475
- DTXSID
DTXSID40885116- ChEBI
CHEBI:168692- EC Number
- 243-534-1
- Nikkaji
- J100.638J、J126.444C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 67
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Physicochemical properties
- Boiling point
- 82 · 82-84 °C(Press: 12 Torr)
- Density
- 0.8435 g/cm3 · 0.8435 g/cm3(Temp: 25 °C)
- pka
- 14.9 · 14.90±0.10(Predicted)
- LogP
- 2.716 · 2.716 (est)
- EPA Substance Registry System
- 3 · 3-Octen-1-ol, (3E)- (20125-85-3)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing Information3-Octen-1-ol, (3E)-: ACTIVE
Applications
Uses(3E)-3-Octen-1-ol is used as a reagent in the synthesis of Phomoidride D related compounds which act as antihypercholesterolemic agents.
Suppliers2 total
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: (E)-3-Octen-1-ol is an aliphatic alcohol.
Related reactions
4 records
Linked notes
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