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1-Butanol-d

1-Butanol-d structure

CAS No:
4712-38-3
Formula:
C4H9DO
Chemical Name:
1-Butanol-d
Synonyms:
1-Butanol-d;Butyl alcohol-d;Butanol-O-d;n-Butanol-O-d;1-Deuteriooxybutane
Categories:
Chemical Reagents > Deuterated Reagents

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Description

clear colorless liquid

1-Butanol-d Basic Attributes

Molecular Weight：

75.13

Exact Mass：

75.079445

EC Number：

225-201-2

DSSTox ID：

DTXSID40197044

Characteristics

PSA：

20.2

XLogP3：

0.88

Appearance：

colorless liquid

Density：

0.8±0.1 g/cm3

Melting Point：

-89.5ºC

Boiling Point：

118 °C

Flash Point：

95 °F

Refractive Index：

1.396

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1120 3/PG 3

wgk germany：

hazard class code：

10-22-37/38-41-67

safety instructions：

13-26-37/39-46-7/9

Marks：

Xn,F

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H315-H318-H335-H336

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Butanol-d Use and Manufacturing

Labelled form of 1-Butanol, which is used for the production of dimethylfuran for liquid fuels.

Computed Properties

Molecular Weight:75.13
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:75.079441684
Monoisotopic Mass:75.079441684
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Complexity:13.1
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes