2-Butene-1,4-diol


Chemical Name: 2-Butene-1,4-diol
CAS Number: 110-64-5
Product Number: AG003372(AGN-PC-00G6B9)
Synonyms:
MDL No:
Molecular Formula: C4H8O2
Molecular Weight: 88.1051

Identification/Properties


Properties
MP:
4-10 °C(lit.)
BP:
380°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.479
Computed Properties
Molecular Weight:
88.106g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
88.052g/mol
Monoisotopic Mass:
88.052g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
34.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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