1,2-Butanediol

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Catalog Number
ACM584032
Product Name
1,2-Butanediol
Structure
Structure
CAS
584-03-2
Category
Heterocyclic Organic Compound
Synonyms
1,2-Butylene glycol
IUPAC Name
(2R)-butane-1,2-diol
Molecular Weight
90.12
Molecular Formula
C4H10O2
Canonical SMILES
CCC(CO)O
InChI Key
BMRWNKZVCUKKSR-SCSAIBSYSA-N
Boiling Point
191-192ºC747 mm Hg(lit.)
Melting Point
-50ºC
Flash Point
93.3ºC
Density
1.001g/cm³
Appearance
clear colorless liquid
Complexity
29
Defined Atom Stereocenter Count
0
EC Number
209-527-2
Exact Mass
90.0680
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
6
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
90.0680
Physical State
Liquid
Rotatable Bond Count
2
Safety Description
S24/25
Topological Polar Surface Area
40.5 Ų
UN Number
1993
WGK Germany
2
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