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Trimethyl orthobutyrate

Trimethyl orthobutyrate structure

CAS No:
43083-12-1
Formula:
C7H16O3
Chemical Name:
Trimethyl orthobutyrate
Synonyms:
Butane,1,1,1-trimethoxy-;Orthobutyric acid,trimethyl ester;1,1,1-Trimethoxybutane;Methyl orthobutyrate;Trimethyl orthobutyrate;Trimethyl orthobutanoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear colorless to slightly yellow liquid

Trimethyl orthobutyrate Basic Attributes

Molecular Weight：

148.200

Exact Mass：

148.20

EC Number：

256-079-9

DSSTox ID：

DTXSID80195680

HScode：

2909199090

Characteristics

PSA：

27.69000

XLogP3：

1.96

Appearance：

Colorless liquid

Density：

0.9261 g/cm³ @ Temp: 25 °C

Boiling Point：

145-147 °C

Flash Point：

35.0±0.0 °C

Refractive Index：

1.401

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3272

wgk germany：

hazard class code：

R10;R36/37/38

safety instructions：

S37/39-S26-S16-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:148.20
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:148.109944368
Monoisotopic Mass:148.109944368
Topological Polar Surface Area:27.7
Heavy Atom Count:10
Complexity:70.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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