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2-Octen-4-one

2-Octen-4-one structure

CAS No:
4643-27-0
Formula:
C8H14O
Chemical Name:
2-Octen-4-one
Synonyms:
2-Octen-4-one;Butyl 1-propenyl ketone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Octen-4-one Basic Attributes

Molecular Weight：

126.19600

Exact Mass：

126.20

EC Number：

225-071-7

DSSTox ID：

DTXSID40814067

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

2.32180

Appearance：

Colourless liquid; fruity floral odour

Density：

0.852 g/cm³ @ Temp: 20 °C

Boiling Point：

178 °C

Flash Point：

67.1ºC

Refractive Index：

1.431

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Transport codes：

UN 1993

hazard class code：

R10

safety instructions：

16-26-36

Marks：

GHS Classification：

|Warning|H226 (93.23%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1477 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Octen-4-one Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:126.20
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:103
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4643-27-0

Grade: Pharmaceutical Grade

Content: 99%

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2-octen-4-one 4643-27-0

CAS No.: 4643-27-0

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