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3-Methylene-2-octanone

3-Methylene-2-octanone structure

CAS No:
63759-55-7
Formula:
C9H16O
Chemical Name:
3-Methylene-2-octanone
Synonyms:
2-Octanone,3-methylene-;3-Methylene-2-octanone;3-Pentyl-3-buten-2-one;3-Methylideneoctan-2-one

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Description

Pale yellow liquid; musty, mushroom odour

3-Methylene-2-octanone Basic Attributes

Molecular Weight：

140.22300

Exact Mass：

140.22

EC Number：

264-448-0

UNII：

U0DN158008

DSSTox ID：

DTXSID3069986

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

2.71190

Density：

0.8496 g/cm³ @ Temp: 20 °C

Boiling Point：

90 °C @ Press: 35 Torr

Flash Point：

71.6ºC

Refractive Index：

1.426

Water Solubility：

insoluble in water; soluble in fats|Miscible at room temperature (in ethanol)

3-Methylene-2-octanone Use and Manufacturing

Manufacturing Info：

2-Octanone, 3-methylene-: INACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:140.22
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:140.120115130
Monoisotopic Mass:140.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methylene-2-octanone

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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