Basic information
- CAS
70771-72-1- Standard SMILES
CCCC(C)=CCO- InChIKey
CKWCTBJSFBLMOH-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 3-Methylhex-2-en-1-ol
- IUPAC
- 3-methylhex-2-en-1-ol
- English name
- 3-Methylhex-2-en-1-ol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
3-methylhex-2-en-1-ol70771-72-1DTXSID6021612RefChem:281118DTXCID20813957861-193-22-Hexen-1-ol, 3-methyl-30804-76-3SCHEMBL4971324SCHEMBL9441748
Database identifiers
- CAS
70771-72-1- PubChem CID
- 35482
- DTXSID
DTXSID6021612- EC Number
- 861-193-2
Properties
Computed structural properties
- XLogP
- 2
- 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
- 74.5
Physicochemical properties
- Boiling point
- 90 · 90-92 °C(Press: 28 Torr)
- Density
- 0.8563 g/cm3 · 0.8563 g/cm3
- pka
- 14.72 · 14.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H227-H315
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H227-H315
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Related reactions
1 records
Compound notes
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