Basic information
- CAS
55145-28-3- Standard SMILES
C=CC(C)(O)CCC- InChIKey
JNLMZYGDTPRAMM-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Overview
See also: 1-Hexen-3-ol, 3-methyl (annotation moved to).
Names & identifiers
- Preferred name
- 1-Hexen-3-ol, 3-methyl-
- IUPAC
- 3-methylhex-1-en-3-ol
- English name
- 3-Methyl-1-hexen-3-ol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
3-Methyl-1-hexen-3-ol1-HEXEN-3-OL, 3-METHYL-BRN 16995613-Methyl-hexen-(1)-ol-(3)3-Methyl-hexen-(1)-ol-(3) [German]4-01-00-02158 (Beilstein Handbook Reference)RefChem:4330463-methylhex-1-en-3-ol55145-28-3SCHEMBL7095968SCHEMBL11660695DTXSID00970496
Show more names
AKOS006275342
Database identifiers
- CAS
55145-28-3- PubChem CID
- 41333
- DTXSID
DTXSID00970496- Nikkaji
- J77.667J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.5
Physicochemical properties
- Melting point
- 133 · 133-134 °C
- Boiling point
- 131 · 131-133 °C
- Density
- 0.8367 g/cm3 · 0.8367 g/cm3(Temp: 17 °C)
- pka
- 14.56 · 14.56±0.29(Predicted)
- LogP
- 1.911 · 1.911 (est)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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