Basic information
- CAS
20125-81-9- Standard SMILES
C/C=C/C(O)CCCC- InChIKey
WGDUEFYADBRNKG-GQCTYLIASA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
(+/-)-(E)-2-Octen-4-ol is a secondary alcohol.
Names & identifiers
- Preferred name
- 2-Octen-4-ol, (2E)-
- IUPAC
- (E)-oct-2-en-4-ol
- English name
- (E)-oct-2-en-4-ol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2-Octen-4-ol(E)-Oct-2-en-4-ol(2E)-2-Octen-4-ol(E)-2-Octen-4-ol2-Octenol-4trans-2-Octen-4-ol20125-81-9Oct-2-en-4-ol(2E)-oct-2-en-4-ol2-Octen-4-ol, (E)-2-Octen-4-ol, (2E)-9IDJ8Q7S9T
Show more names
EINECS 225-357-1EINECS 243-532-0BUTYL PROPENYL CARBINOLAI3-28628FEMA NO. 38882-OCTEN-4-OL, TRANS-DTXSID601316363NSC 93816
Database identifiers
- CAS
20125-81-9、4798-61-2- PubChem CID
- 5366203
- DTXSID
DTXSID601316363- ChEBI
CHEBI:195850- UNII
- 9IDJ8Q7S9T
- EC Number
- 225-357-1、243-532-0
- Nikkaji
- J100.634G、J280.453K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 76.6
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.830-0.838
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
50% soluble in ethanol (in ethanol)
Boiling Point
175.00 to 176.00 °C. @ 760.00 mm Hg
174-176 °C
Refractive Index1.438-1.442
Physical DescriptionClear light yellow liquid; fruity berry
Physicochemical properties
- Boiling point
- 175 · 175.0±0.0 °C(Predicted)
- Density
- 0.843 · 0.843±0.06 g/cm3(Predicted)
- FEMA
- 3888 · 3888 | (E)-2-OCTEN-4-OL
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (114 of 114) of all reports.
Not Classified
Aggregated GHS information provided per 114 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 2-Octen-4-ol
Chemical: 2-Octen-4-ol, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Octen-4-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Upstream & downstream products
Downstream products
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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