1,3-Butadien-1-ol, 1-acetate
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1,3-Butadien-1-ol, 1-acetate
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CAS No:
1515-76-0
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Formula:
C6H8O2
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Chemical Name:
1,3-Butadien-1-ol, 1-acetate
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Synonyms:
1,3-Butadien-1-ol,1-acetate;1,3-Butadien-1-ol,acetate;1-Acetoxy-1,3-butadiene;1-Acetoxybutadiene;1,3-Butadienyl acetate;Butadienyl acetate;52749-14-1
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CAS No:
Characteristics
26.3
1.24920
0.9643 g/cm3 @ Temp: 20 °C
52-54 °C @ Press: 40 Torr
92 °F
n 20/D 1.47
2-8°C
40 mm Hg ( 60 °C)
Oral-Rat LDL0: 710 mg/kg
Flammable; decomposes by heating to release irritating fumes
Safety Information
III
3
UN 1992 3/PG 3
3
10-21/22-36/37/38
26-36/37
EJ1225000
Xn
Warehouse ventilated, low temperature and dry
P210-P280-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235
H226-H302-H311-H315-H319-H335
Computed Properties
Molecular Weight:112.13
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:114
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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