873-94-9,MFCD00019466
Catalog No.:AA004JSF

873-94-9 | 3,3,5-Trimethylcyclohexanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$27.00   $19.00
- +
25g
99%
in stock  
$32.00   $22.00
- +
100g
99%
in stock  
$50.00   $35.00
- +
500g
98%
in stock  
$250.00 $175.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004JSF
Chemical Name:
3,3,5-Trimethylcyclohexanone
CAS Number:
873-94-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00019466
SMILES:
CC1CC(=O)CC(C1)(C)C
Properties
Properties
 
BP:
188.8°C at 760 mmHg  
Form:
Liquid  
MP:
-10 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
147  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Literature

Title: Mechanistic insights into the proline-directed enantioselective heterogeneous hydrogenation of isophorone.

Journal: Langmuir : the ACS journal of surfaces and colloids 20070522

Title: 3,3,5-Trimethylcyclohexanols and derived esters: green synthetic procedures, odour evaluation and in vitro skin cytotoxicity assays.

Journal: International journal of cosmetic science 20061201

Title: Heterogeneously catalyzed asymmetric C=C hydrogenation: origin of enantioselectivity in the proline-directed Pd/isophorone system.

Journal: Journal of the American Chemical Society 20060607

Title: Biological stereoselective reduction of 3,3,5-trimethylcyclohexanone by Glomerella cingulata.

Journal: Natural product letters 20010101

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SDS
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Tags:873-94-9 Molecular Formula|873-94-9 MDL|873-94-9 SMILES|873-94-9 3,3,5-Trimethylcyclohexanone
Catalog No.: AA004JSF
873-94-9,MFCD00019466
873-94-9 | 3,3,5-Trimethylcyclohexanone
Pack Size: 5g
Purity: 98%
in stock
$27.00 $19.00
Pack Size: 25g
Purity: 99%
in stock
$32.00 $22.00
Pack Size: 100g
Purity: 99%
in stock
$50.00 $35.00
Pack Size: 500g
Purity: 98%
in stock
$250.00 $175.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004JSF
Chemical Name: 3,3,5-Trimethylcyclohexanone
CAS Number: 873-94-9
Molecular Formula: C9H16O
Molecular Weight: 140.2227
MDL Number: MFCD00019466
SMILES: CC1CC(=O)CC(C1)(C)C
Properties
BP: 188.8°C at 760 mmHg  
Form: Liquid  
MP: -10 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 147  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Literature fold

Title: Mechanistic insights into the proline-directed enantioselective heterogeneous hydrogenation of isophorone.

Journal: Langmuir : the ACS journal of surfaces and colloids20070522

Title: 3,3,5-Trimethylcyclohexanols and derived esters: green synthetic procedures, odour evaluation and in vitro skin cytotoxicity assays.

Journal: International journal of cosmetic science20061201

Title: Heterogeneously catalyzed asymmetric C=C hydrogenation: origin of enantioselectivity in the proline-directed Pd/isophorone system.

Journal: Journal of the American Chemical Society20060607

Title: Biological stereoselective reduction of 3,3,5-trimethylcyclohexanone by Glomerella cingulata.

Journal: Natural product letters20010101

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