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tert-Butyl alcohol-d

tert-Butyl alcohol-d structure

CAS No:
3972-25-6
Formula:
C4H9DO
Chemical Name:
tert-Butyl alcohol-d
Synonyms:
2-Propanol-d,2-methyl-;tert-Butyl alcohol-d;tert-Butyl hydroxide-d
Categories:
Chemical Reagents > Deuterated Reagents

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Description

clear colorless liquid

tert-Butyl alcohol-d Basic Attributes

Molecular Weight：

75.13

Exact Mass：

75.079445

EC Number：

223-597-1

DSSTox ID：

DTXSID50192803

Characteristics

PSA：

20.2

XLogP3：

0.51

Density：

0.8±0.1 g/cm3

Melting Point：

23-26 °C(lit.)

Boiling Point：

84.2 °C @ Press: 760 Torr

Flash Point：

52 °F

Refractive Index：

1.395

Storage Conditions：

Flammables area

Explosive limit：

2.3-8.0%(V)

Safety Information

Transport codes：

UN 1120 3/PG 2

wgk germany：

hazard class code：

11-20-36/37

safety instructions：

9-16-46

Marks：

F,Xn

Precautionary statement(s)：

P210-P261-P305 + P351 + P338-P370 + P378-P403 + P235

Hazard Statements：

H225-H319-H332-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

tert-Butyl alcohol-d Use and Manufacturing

Labelled Tert-butyl Alcohol is used as an organic solvent. Also it is used in the synthesis of proteosome inhibitors that are quite potent.

Computed Properties

Molecular Weight:75.13
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:75.079441684
Monoisotopic Mass:75.079441684
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Complexity:25.1
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes