1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
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1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
structure -
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CAS No:
23696-85-7
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Formula:
C13H18O
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Chemical Name:
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
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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:
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CAS No:
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one Basic Attributes
190.28
190.28
245-833-2
33021090
Characteristics
17.1
3.2
yellow
0.9±0.1 g/cm3
275.6°C at 760 mmHg
62°F
1.491
2-8°C
0.00503mmHg at 25°C
Safety Information
Ⅲ
UN 1170
3
11-43
7-16-36/37
F,Xi
P210-P280-P305 + P351 + P338-P370 + P378-P403 + P235
H225-H317-H319
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one Use and Manufacturing
It is formed by condensing bromoisopropylidene acetone with 1, 3-pentadiene, removing hydrogen bromide, condensing with acetaldehyde, and dehydrating.
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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1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
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