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2,3-Dimethyl-2-butanol

2,3-Dimethyl-2-butanol structure

CAS No:
594-60-5
Formula:
C6H14O
Chemical Name:
2,3-Dimethyl-2-butanol
Synonyms:
2-Butanol,2,3-dimethyl-;2,3-Dimethyl-2-butanol;Thexyl alcohol;Isopropyldimethylcarbinol;Dimethylisopropylcarbinol;NSC 2312
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colourless liquid

2,3-Dimethyl-2-butanol Basic Attributes

Molecular Weight：

102.17500

Exact Mass：

102.17

EC Number：

209-847-2

UNII：

ZWE5U7S6W9

NSC Number：

2312

DSSTox ID：

DTXSID60208126

HScode：

29051900

Characteristics

PSA：

20.23000

XLogP3：

1.41330

Density：

0.8294 g/cm³ @ Temp: 420 °C

Melting Point：

-14 °C

Boiling Point：

118.4 °C

Flash Point：

29.4ºC

Refractive Index：

n20/D 1.417(lit.)

Water Solubility：

40.12g/L(25 ºC)

Vapor Pressure：

3.20 mmHg

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

R10

safety instructions：

16-29-33

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H225 (69.29%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 127 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:102.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:102.104465066
Monoisotopic Mass:102.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:55.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes