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Ethyl 2-butynoate

Ethyl 2-butynoate structure

CAS No:
4341-76-8
Formula:
C6H8O2
Chemical Name:
Ethyl 2-butynoate
Synonyms:
2-Butynoic acid,ethyl ester;Tetrolic acid,ethyl ester;Ethyl tetrolate;Ethyl 2-butynoate;Ethyl 3-methylpropiolate;Ethyl 1-propynecarboxylate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Ethyl 2-butynoate Basic Attributes

Molecular Weight：

112.13

Exact Mass：

112.13

BRN：

1744948

EC Number：

224-395-6

UNII：

6UG3A7S3GB

DSSTox ID：

DTXSID20195846

HScode：

2916190090

Characteristics

PSA：

26.3

XLogP3：

1.5

Appearance：

Grey to red to brown Powder

Density：

0.9660 g/cm³ @ Temp: 20 °C

Boiling Point：

163 °C

Flash Point：

145 °F

Refractive Index：

1.431

Water Solubility：

Miscible with water, chloroform and ethyl acetate.

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1993

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H226 (10.64%): 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 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl 2-butynoate

Computed Properties

Molecular Weight:112.13
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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