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Cis-2-Butene-1,4-Diol

Catalog Number
ACM6117802
Product Name
Cis-2-Butene-1,4-Diol
Structure
CAS
6117-80-2
Category
Monomers
Synonyms
Cis-1,4-Dihydroxy-2-Butene
Description
Liquid
IUPAC Name
(Z)-but-2-ene-1,4-diol
Molecular Weight
88.11
Molecular Formula
C4H8O2
Canonical SMILES
C(/C=C\CO)O
InChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
InChI Key
ORTVZLZNOYNASJ-UPHRSURJSA-N
Boiling Point
235 °C
Melting Point
7 °C (45 °F)
Flash Point
128 °C (263 °F) OC
Density
1.067-1.074
Solubility
VERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE
Color/Form
ALMOST COLORLESS LIQUID
Complexity
34.8
Covalently-Bonded Unit Count
1
EC Number
228-085-1;203-787-0
Exact Mass
88.052429g/mol
Formal Charge
0
Hazard Statements
H225-H314
Heavy Atom Count
6
MeSH Entry Terms
2-butene-1,4-diol;penitricin C;penitricin C, (E)-isomer;penitricin C, (Z)-isomer
Monoisotopic Mass
88.052429g/mol
NSC Number
1260;976
Odor
ODORLESS
Other Experimental
IR: 15610 (Sadtler Research Laboratories IR Grating Collection) /2-Butene-1,4 diol (cis)/;NMR: 9540 (Sadtler Research Laboratories Spectral Collection) /2-Butene-1,4 diol (cis)/;MASS: 48 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /2-Butene-1,4 diol (cis)/;MASS: 48 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /2-Butene-1,4 diol (trans)/
Refractive Index
INDEX OF REFRACTION: 1.476-1.478 AT 25 °C/D
Rotatable Bond Count
2
UNII
ZA7VGU6SCV
Vapor Density
3.0 (AIR= 1)
XLogP3
-0.8
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