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79-78-7,MFCD00052729
Catalog No.:AA005H67

79-78-7 | 1,6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
85%
2 weeks  
$46.00   $33.00
- +
5g
85%
2 weeks  
$125.00   $88.00
- +
25g
85%
2 weeks  
$266.00   $187.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA005H67
Chemical Name:
1,6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS Number:
79-78-7
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
MDL Number:
MFCD00052729
SMILES:
C=CCCC(=O)C=CC1C(=CCCC1(C)C)C
FEMA Number:
2033
Properties
Properties
 
BP:
102-104 °C0.2 mm Hg(lit.)  
Form:
Liquid  
Refractive Index:
n20/D 1.505(lit.)  

Computed Properties
 
Complexity:
345  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4  

Literature

Title: Fragrance material review on allyl alpha-ionone.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101

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SDS
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Tags:79-78-7 Molecular Formula|79-78-7 MDL|79-78-7 SMILES|79-78-7 1,6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-