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3-Penten-2-one

3-Penten-2-one structure

CAS No:
625-33-2
Formula:
C5H8O
Chemical Name:
3-Penten-2-one
Synonyms:
3-Penten-2-one;Methyl propenyl ketone;Ethylideneacetone;2-Oxo-3-pentene;Methyl 1-propenyl ketone;2-Penten-4-one;NSC 61468
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

colourless liquid with a pungent odour 3-Penten-2-one has a fruity odor becoming pungent on storage.

Methyl propenyl ketone is an enone that is pent-2-ene in which the two methylene hydrogens have been replaced by an oxo group. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a human urinary metabolite, a biomarker, a plant metabolite and a mouse metabolite.

3-Penten-2-one Basic Attributes

Molecular Weight：

84.118

Exact Mass：

84.12

EC Number：

210-888-3

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

0.5

Appearance：

Liquid

Density：

0.8614 g/cm³ @ Temp: 20 °C

Boiling Point：

122.5 °C

Flash Point：

21.1±0.0 °C

Refractive Index：

1.411

Water Solubility：

Slightly soluble in Water

Vapor Pressure：

760 mm Hg ( 121 °C)

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

1992

wgk germany：

hazard class code：

3,6.1

safety instructions：

S16-S23-S26-S36/37/39

RTECS Number：

SB3850000

Marks：

F;Xn

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing and strong reducing agents, strong acids, strong bases.

Precautionary statement(s)：

P210-P261-P280-P305 + P351 + P338-P312

Hazard Statements：

H225-H311-H315-H319-H335

GHS Classification：

|Danger|H225 (11.07%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1446 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Penten-2-one Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:84.12
XLogP3:0.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:72
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Penten-2-one

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3-Penten-2-one

CAS No.: 625-33-2

Content: 99.00%

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