4-Methyl-4E-hepten-3-ol
Basic information
- CAS
81280-12-8- Standard SMILES
CC/C=C(\C)C(O)CC- InChIKey
CVBRKUMLJLIZGY-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
4-Methyl-4E-hepten-3-ol is a secondary alcohol.
Names & identifiers
- Preferred name
- 4-Methyl-4E-hepten-3-ol
- IUPAC
- (E)-4-methylhept-4-en-3-ol
- English name
- 4-Methyl-4-hepten-3-ol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
4-Methyl-4E-hepten-3-olRefChem:10711094-Methyl-4-hepten-3-ol81280-12-8(E)-4-methylhept-4-en-3-ol4-Hepten-3-ol, 4-methyl-87777-45-5SCHEMBL8420600CHEBI:195855CVBRKUMLJLIZGY-VOTSOKGWSA-NLMFA05000474MFCD00046670
Show more names
4-Methylhept-4-en-3-ol(4E)-4-Methyl-4-hepten-3-ol
(4E)-4-Methyl-4-hepten-3-ol #
Database identifiers
- CAS
81280-12-8- PubChem CID
- 5368945
- ChEBI
CHEBI:195855- EC Number
- 680-696-6
- Nikkaji
- J1.992.650H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.7
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Physicochemical properties
- Melting point
- -31.5 °C · -31.5°C (estimate)
- Boiling point
- 165 °C · 165°C
- Density
- 0.8646 · 0.8646 (estimate)
- refractive index
- 1.4359 · 1.4359 (estimate)
- Flash point
- 52 °C · 52°C
- pka
- 14.79 · 14.79±0.20(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · 1993
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
H226 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- 1993
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P240-P241-P280a-P303+P361+P353-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…