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tert-Butyl 3-Butenoate

tert-Butyl 3-Butenoate structure

CAS No:
14036-55-6
Formula:
C8H14O2
Chemical Name:
tert-Butyl 3-Butenoate
Synonyms:
3-Butenoic Acid tert-Butyl Ester; tert-butyl but-3-enoate; tert-Butyl Vinylacetate; Vinylacetic Acid tert-Butyl Ester;
Categories:
Chemical Reagents > Organic Reagents

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tert-Butyl 3-Butenoate Basic Attributes

Molecular Weight：

142.19600

Exact Mass：

142.099379685 g/mol

DSSTox ID：

DTXSID40348670

HScode：

2916190090

Characteristics

PSA：

26.30000

XLogP3：

1.90420

Density：

0.877 g/mL at 20ºC

Boiling Point：

154.1ºC at 760 mmHg

Flash Point：

31ºC

Refractive Index：

1.413

Vapor Pressure：

3.22mmHg at 25°C

Safety Information

Transport codes：

UN 3272

hazard class code：

R10

safety instructions：

S26

Marks：

GHS Classification：

|Warning|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, P312, P321, P330, P332+P313, P337+P313, P362, 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.

Computed Properties

Molecular Weight:142.20
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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