(2Z)-2-Buten-1-ol
Basic information
- CAS
4088-60-2- Standard SMILES
C/C=C\CO- InChIKey
WCASXYBKJHWFMY-IHWYPQMZSA-N- Molecular formula
- C4H8O
- Average molar mass
- 72.11 g/mol
- Monoisotopic mass
- 72.05751488
Names & identifiers
- Preferred name
- (2Z)-2-Buten-1-ol
- IUPAC
- (Z)-but-2-en-1-ol
- English name
- CIS-2-BUTEN-1-OL
- Molecular formula
- C4H8O
- Molecular weight
- 72.11
Names & synonyms
4088-60-22-Buten-1-ol, (2Z)-Crotyl alcohol, (Z)-W6GGS58T62(2Z)-2-Buten-1-olDTXSID30884032RefChem:1050029DTXCID40931081(Z)-But-2-en-1-ol(Z)-2-Buten-1-olcis-2-Buten-1-Ol(2Z)-but-2-en-1-ol
Show more names
Z-2-butene-olcis-2-Butenol(z)-2-buten-1-o(Z)-2-BUTEN-1-O1Z-Crotyl alcohol(Z)-CH3CH=CHCH2OH
cis-Crotyl Alcohol2-Buten-1-ol, (Z)-MFCD00063206(Z)-crotyl alcoholcis-2-Butenyl alcohol2-Butenol2-Butenyl alcohol3-Methylallyl alcohol
Database identifiers
- CAS
4088-60-2、6117-91-5- PubChem CID
- 643789
- DTXSID
DTXSID30884032- ChEMBL
CHEMBL116709- UNII
- W6GGS58T62
- Nikkaji
- J1.827I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.6
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesCoriolis coupling
Solubility1000 mg/mL
Boiling Point120.00 to 122.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- 37 °C · 37°C (estimate)
- Boiling point
- 91.54 °C · 91.54°C (estimate)
- Density
- 0.8532 · 0.8532
- refractive index
- 1.4342 · 1.4342
- pka
- 14.7 · 14.70±0.10(Predicted)
- InChI
- InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-
- InChIKey
- WCASXYBKJHWFMY-IHWYPQMZSA-N
- SMILES
- C(O)/C=C\C
- LogP
- 0.636 · 0.636 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryExtremely flammable; An irritant; [ChemSampCo MSDS] See 3-Buten-2-ol.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing Information2-Buten-1-ol, (2Z)-: INACTIVE
Suppliers
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Related reactions
1 records
Compound notes
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