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6-Methylhepta-3,5-dien-2-one

6-Methylhepta-3,5-dien-2-one structure

CAS No:
1604-28-0
Formula:
C8H12O
Chemical Name:
6-Methylhepta-3,5-dien-2-one
Synonyms:
3,5-Heptadien-2-one,6-methyl-;6-Methyl-3,5-heptadien-2-one;6-Methylhepta-3,5-dien-2-one;2-Methyl-2,4-heptadien-6-one;6-Methylhepta-3,5-diene-2-one
Categories:
Cosmetic Ingredient > Perfuming

Description

6-Methyl-3,5-heptadine-2-one has a cinnamon-like odor with a coconut undertone Clear colorless to light yellow liquid6-Methyl-3,5-heptadien-2-one has a cinnamon-like odor with a coconut undertone. May be prepared by reacting 2-methylbuten- 2-al with acetone in the presence of sodium ethylate or sodium hydroxide; by pyrolysis of tertiary actylenic carbinyl acetoacetates in the presence of an acid catalyst.

6-Methylhepta-3,5-dien-2-one Basic Attributes

Molecular Weight：

124.18

Exact Mass：

124.18

BRN：

1699937

EC Number：

216-507-7

HScode：

29141900

Characteristics

PSA：

17.1

XLogP3：

2.09780

Appearance：

Colourless to pale yellow oily liquid; cinnamon-like odour with a coconut undertone

Density：

0.897 g/cm³ @ Temp: 19 °C

Boiling Point：

86-87 °C

Flash Point：

95-96°C/20mm

Refractive Index：

1.534

Water Solubility：

Miscible with alcohol. Immiscible withwater.

Vapor Pressure：

0.464mmHg at 25°C

Safety Information

Packing level：

III

Transport codes：

1224

hazard class code：

10-36/38-36/37/38

safety instructions：

26-36-36/37-37

Marks：

Precautionary statement(s)：

P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:124.18
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:124.088815002
Monoisotopic Mass:124.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:148
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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6-Methyl-3,5-heptadien-2-one

CAS No.: 1604-28-0

Content: 99.00%

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Guide of 6-Methylhepta-3,5-dien-2-one

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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6-Methylhepta-3,5-dien-2-one

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