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1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one structure

CAS No:
23696-85-7
Formula:
C13H18O
Chemical Name:
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
Synonyms:
2-Buten-1-one,1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-;1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one;2,6,6-Trimethyl-1-crotonyl-1,3-cyclohexadiene;2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene;1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene;1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one
Categories:
Cosmetic Ingredient > Perfuming

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1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one Basic Attributes

Molecular Weight：

190.28

Exact Mass：

190.28

EC Number：

245-833-2

HScode：

33021090

Characteristics

PSA：

17.1

XLogP3：

3.2

Appearance：

yellow

Density：

0.9±0.1 g/cm3

Boiling Point：

275.6°C at 760 mmHg

Flash Point：

62°F

Refractive Index：

1.491

Storage Conditions：

2-8°C

Vapor Pressure：

0.00503mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 1170

wgk germany：

hazard class code：

11-43

safety instructions：

7-16-36/37

Marks：

F,Xi

Precautionary statement(s)：

P210-P280-P305 + P351 + P338-P370 + P378-P403 + P235

Hazard Statements：

H225-H317-H319

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one Use and Manufacturing

Methods of Manufacturing

It is formed by condensing bromoisopropylidene acetone with 1, 3-pentadiene, removing hydrogen bromide, condensing with acetaldehyde, and dehydrating.

Uses

Used to formulate essence

Computed Properties

Molecular Weight:190.28
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:190.135765193
Monoisotopic Mass:190.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:327
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

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