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3-Butene-1,2-diol, 1,2-diacetate

3-Butene-1,2-diol, 1,2-diacetate structure

CAS No:
18085-02-4
Formula:
C8H12O4
Chemical Name:
3-Butene-1,2-diol, 1,2-diacetate
Synonyms:
3-Butene-1,2-diol,1,2-diacetate;3-Butene-1,2-diol,diacetate;Diacetoxybutene;2-(Acetoxymethyl)-3-acetoxy-1-propene;3,4-Diacetoxy-1-butene;1,2-Diacetoxy-3-butene;1-Butene-3,4-diyl diacetate;1-Butene-3,4-diol diacetate;3,4-Diacetyloxy-1-butene;1-(Acetyloxy)but-3-en-2-yl acetate

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Description

CLEAR COLOURLESS TO YELLOWISH LIQUID

3-Butene-1,2-diol, 1,2-diacetate Basic Attributes

Molecular Weight：

172.18

Exact Mass：

172.18

EC Number：

421-720-5

HScode：

2915390090

Characteristics

PSA：

52.6

XLogP3：

0.66720

Density：

1.0603 g/cm³ @ Temp: 420 °C

Boiling Point：

94-98 °C @ Press: 12 Torr

Flash Point：

196 °F

Refractive Index：

n 20/D 1.43(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501|Aggregated GHS information provided by 89 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

3-Butene-1,2-diol, 1,2-diacetate Use and Manufacturing

Intermediate in the preparation of 1,4-Butanediol and tetrahydrofuran.

Computed Properties

Molecular Weight:172.18
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:12
Complexity:186
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Butene-1,2-diol, 1,2-diacetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

3-Butene-1,2-diol, 1,2-diacetate

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