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1,4-Pentadien-3-ol

1,4-Pentadien-3-ol structure

CAS No:
922-65-6
Formula:
C5H8O
Chemical Name:
1,4-Pentadien-3-ol
Synonyms:
1,4-Pentadien-3-ol;Divinylcarbinol;Diethenylmethyl alcohol;3-Hydroxy-1,4-pentadiene;Divinylmethanol
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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1,4-Pentadien-3-ol Basic Attributes

Molecular Weight：

84.116

Exact Mass：

84.12

EC Number：

213-080-9

DSSTox ID：

DTXSID00238922

HScode：

29052990

Characteristics

PSA：

20.23000

XLogP3：

0.87

Appearance：

Colorless clear liquid

Density：

0.8648 g/cm³ @ Temp: 19 °C

Boiling Point：

115.5 °C

Flash Point：

30.0±0.0 °C

Refractive Index：

1.441

Storage Conditions：

2-8ºC

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

R10;R22

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,4-Pentadien-3-ol Use and Manufacturing

Starting material for asymmetric epoxidation.1,2

Computed Properties

Molecular Weight:84.12
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:49
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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