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4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone

4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone structure

CAS No:
20483-36-7
Formula:
C13H20O
Chemical Name:
4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone
Synonyms:
2-Butanone,4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-;4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone;Dihydrodehydro-β-ionone;7,8-Dihydro-3,4-dehydro-β-ionone;4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)butan-2-one;3,4-Didehydro-7,8-dihydro-β-ionone
Categories:
Cosmetic Ingredient > Perfuming

Description

Dihydrodehydro-beta-ionone is a member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6. It has a role as a human urinary metabolite and a flavouring agent. It is a cyclohexadiene and a methyl ketone.

4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone Basic Attributes

Molecular Weight：

192.29700

Exact Mass：

192.30

EC Number：

243-847-3

UNII：

XZS4VD987O

DSSTox ID：

DTXSID0066618

HScode：

2914299000

Characteristics

PSA：

17.07000

XLogP3：

3.65820

Density：

0.893g/cm3

Boiling Point：

267.4ºC at 760mmHg

Flash Point：

95.6ºC

Refractive Index：

1.465

Water Solubility：

14.09 mg/L @ 25 °C (est)|soluble in alcohol and most fixed oils; insoluble in water

Vapor Pressure：

0.00816mmHg at 25°C

4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone Use and Manufacturing

Manufacturing Info：

2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.30
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:192.151415257
Monoisotopic Mass:192.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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