Octa-2,4-dien-1-ol
Basic information
- CAS
69668-94-6- Standard SMILES
CCCC=CC=CCO- InChIKey
LMBAOEUOOJDUBP-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- Octa-2,4-dien-1-ol
- IUPAC
- octa-2,4-dien-1-ol
- English name
- 2,4-Octadien-1-ol
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
RefChem:855428DTXCID30813307DTXSID70864833863-961-269668-94-6NOCAS_864833Octa-2,4-dien-1-ol56904-85-9SCHEMBL295290SCHEMBL5012606AKOS030228163DB-052988
Database identifiers
- CAS
69668-94-6- PubChem CID
- 87631
- EC Number
- 863-961-2
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
- 92.7
Physicochemical properties
- Boiling point
- 197.99 · 197.990±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.868 · 0.868±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.545 · 14.545±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Additional notes
DefinitionChEBI: (2E,4E)-2,4-octadien-1-ol is an aliphatic alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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