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3-Butyn-2-one

3-Butyn-2-one structure

CAS No:
1423-60-5
Formula:
C4H4O
Chemical Name:
3-Butyn-2-one
Synonyms:
3-Butyn-2-one;Methyl ethynyl ketone;Ethynyl methyl ketone;Acetylacetylene;1-Butyn-3-one;Acetylethyne
Categories:
Specialty Chemicals

Description

clear yellow to orange-brown liquid 3-Butyn-2-one is a clear, colorless liquid that is chemically reactive. It has a boiling point of 85.0°C. The autoignition temperature for 3-butyn-2-one is 274°C. 3-Butyn-2-one has a penetrating odor and is a lacrimator. 3-Butyn-2-one has a penetrating odor and is a lacrimator.

Butyn-2-one is a methyl ketone and a terminal acetylenic compound. It derives from a butan-2-one.

3-Butyn-2-one Basic Attributes

Molecular Weight：

68.075

Exact Mass：

68.07

EC Number：

215-834-2

DSSTox ID：

DTXSID3074521

HScode：

29141900

Characteristics

PSA：

17.1

XLogP3：

0.44

Density：

0.8796 g/cm³ @ Temp: 20 °C

Boiling Point：

84 °C

Flash Point：

28 °F

Refractive Index：

n 20/D 1.406(lit.)

Water Solubility：

It is soluble in water.

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1992 3/PG 2

wgk germany：

hazard class code：

R11;R28;R36/37/38

safety instructions：

45-36/37/39-28A-26-16-43-7/8-7/9-24/25

RTECS Number：

ES0875000

Marks：

F,T+,T,Xi,E,Xn

Precautionary statement(s)：

P210-P261-P264-P301 + P310-P305 + P351 + P338

Hazard Statements：

H225-H300-H315-H319-H335

GHS Classification：

|Danger|H225 (95.83%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, 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 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:68.07
XLogP3:0.4
Hydrogen Bond Acceptor Count:1
Exact Mass:68.026214747
Monoisotopic Mass:68.026214747
Topological Polar Surface Area:17.1
Heavy Atom Count:5
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Butyn-2-one

CAS No.: 1423-60-5

Content: 99.00%

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