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1-Penten-3-one

1-Penten-3-one structure

CAS No:
1629-58-9
Formula:
C5H8O
Chemical Name:
1-Penten-3-one
Synonyms:
1-Penten-3-one;Ethyl vinyl ketone;Vinyl ethyl ketone;4-Penten-3-one;NSC 81211
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

clear colorless to amber liquid 1-Penten-3-one has a powerful, penetrating odor. This compound is also reported as having a pungent, mustard odor. It polymerizes readily with heat or in the presence of alkali.

Liquid, polymerizes readily with heat or in the presence of alkali; powerful penetrating odour

1-Penten-3-one is an olefinic compound. It derives from an acrylic acid.

1-Penten-3-one Basic Attributes

Molecular Weight：

84.12

Exact Mass：

84.12

BRN：

1735857

EC Number：

216-624-3

UNII：

R0053Y1AZ7

NSC Number：

81211

DSSTox ID：

DTXSID5025318

HScode：

29141900

Characteristics

PSA：

17.1

XLogP3：

0.57

Appearance：

Clear colorless to amber Liquid

Density：

0.9425 g/cm³ @ Temp: 0 °C

Melting Point：

59-61 °C

Boiling Point：

103 °C

Flash Point：

20 °F

Refractive Index：

n 20/D 1.419(lit.)

Water Solubility：

Insoluble in water; soluble in most organic solvents.

Storage Conditions：

2-8°C

Vapor Pressure：

31.1mmHg at 25°C

Toxicity：

Intravenous-Mouse LD50: 56 mg/kg

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3286 3/PG 2

wgk germany：

hazard class code：

11-23/24/25-34

safety instructions：

26-36/37/39-45-16

RTECS Number：

SB3800000

Marks：

F,T

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Precautionary statement(s)：

P210-P280-P301 + P310 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P403 + P233

Hazard Statements：

H225-H301 + H311 + H331-H314

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1573 companies from 4 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

1-pentene-3-one

1-Penten-3-one Use and Manufacturing

Methods of Manufacturing

It is obtained by mixing ethylene with propionyl chloride, aluminum trichloride and carbon disulfide.

Uses

GB 2760-1996 stipulates the food spice for temporary use. Used in flavors such as onion, garlic, mustard greens and citrus.

Manufacturing Info：

1-Penten-3-one: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:84.12
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:64.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Penten-3-one

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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