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1-Octen-3-one

1-Octen-3-one structure

CAS No:
4312-99-6
Formula:
C8H14O
Chemical Name:
1-Octen-3-one
Synonyms:
1-Octen-3-one;Vinyl amyl ketone;Pentyl vinyl ketone;Amyl vinyl ketone;n-Amyl vinyl ketone
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

1-Octen-3-one has a mushroom odor.

Colourless liquid; mushroom odour

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

1-Octen-3-one Basic Attributes

Molecular Weight：

126.2

Exact Mass：

126.20

BRN：

1700905

EC Number：

224-327-5

UNII：

7LT7Z4Q9XR

DSSTox ID：

DTXSID5047162

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

2.4

Appearance：

Colourless liquid; mushroom odour

Density：

0.8428 g/cm³ @ Temp: 30 °C

Boiling Point：

59-60 °C @ Press: 16 Torr

Flash Point：

145 °F

Refractive Index：

1.422

Water Solubility：

insoluble in water; miscible in oils

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

22-36/37/38-52/53-36/38

safety instructions：

26-36-61

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H315-H319

GHS Classification：

|Warning|H302 (97.24%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1592 companies from 6 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1-nonen-3-one

1-Octen-3-one Use and Manufacturing

Manufacturing Info：

1-Octen-3-one: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:126.20
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:94.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Octen-3-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-Octen-3-one

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