1,5-Octadien-3-ol
Basic information
- CAS
83861-74-9- Standard SMILES
C=CC(O)CC=CCC- InChIKey
APFBWMGEGSELQP-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
Octa-1,5-dien-3-ol has been reported in Agaricus bisporus with data available.
Names & identifiers
- Preferred name
- 1,5-Octadien-3-ol
- IUPAC
- octa-1,5-dien-3-ol
- English name
- 1,5-octadien-3-ol
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
Octa-1,5-dien-3-ol1,5-octadien-3-ol83861-74-9DTXSID301003967KI2TJG39HPFema No. 4732RefChem:855421DTXCID401430872639-231-2K3WU44ANQ8oct-1,5-dien-3-ol(E)-1,5-octadien-3-ol
Show more names
SCHEMBL309357SCHEMBL28871160APFBWMGEGSELQP-UHFFFAOYSA-NACA30618DB-266582NS00120168Cis-1,5-octadien-3-ol (stabilized with BHT)
Database identifiers
- CAS
83861-74-9- PubChem CID
- 205986
- DTXSID
DTXSID301003967- EC Number
- 639-231-2
Properties
Computed structural properties
- XLogP
- 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
- 94.7
Experimental & physicochemical properties
Density0.854-0.867
Flavoring AgentsEU Flavoring substances
Solubility
Slighty soluble
Soluble (in ethanol)
Boiling Point185-187 °C
Refractive Index1.453-1.463
Physical DescriptionClear colourless liquid / Earthy, mushroom, gernaium, leafy, marine aroma
Physicochemical properties
- Boiling point
- 185.7 · 185.7±9.0 °C(Predicted)
- Density
- 0.857 · 0.857±0.06 g/cm3(Predicted)
- FEMA
- 4732 · 4732 | 1,5-OCTADIEN-3-OL
- FLAVIS Number
- 2.194 · 02.194 | Octa-1,5-dien-3-ol
- pka
- 14.25 · 14.25±0.20(Predicted)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. earthy mushroom geranium leaf green marine
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 6.5% (89 of 1376) of reports.
Warning
H226 (93.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1376 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,5-Octadien-3-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (93.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Additional notes
DefinitionChEBI: (3xi,5Z)-1,5-Octadien-3-ol is an aliphatic alcohol.
Suppliers
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Related reactions
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Compound notes
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