Cas no 63604-65-9 (Propanoic acid, 2-methyl-, cyclohexylmethyl ester)

Propanoic acid, 2-methyl-, cyclohexylmethyl ester structure
63604-65-9 structure
Product Name:Propanoic acid, 2-methyl-, cyclohexylmethyl ester
CAS No:63604-65-9
MF:C11H20O2
MW:184.275303840637
CID:1666898
PubChem ID:20782704
Update Time:2025-04-21

Propanoic acid, 2-methyl-, cyclohexylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-methyl-, cyclohexylmethyl ester
    • DTXSID901292952
    • 63604-65-9
    • cyclohexylmethyl 2-methylpropanoate
    • SCHEMBL2908890
    • Inchi: 1S/C11H20O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
    • InChI Key: MOHLLFDHGGUTMQ-UHFFFAOYSA-N
    • SMILES: O(C(C(C)C)=O)CC1CCCCC1

Computed Properties

  • Exact Mass: 184.1464
  • Monoisotopic Mass: 184.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 158
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Propanoic acid, 2-methyl-, cyclohexylmethyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Zirconocene chloride hydride Solvents: Diethyl ether
1.2 -
Reference
Selective dimerization of aldehydes to esters catalyzed by zirconocene and hafnocene complexes
Morita, Kenichi; et al, Organometallics, 1993, 12(9), 3748-52

Propanoic acid, 2-methyl-, cyclohexylmethyl ester Raw materials

Propanoic acid, 2-methyl-, cyclohexylmethyl ester Preparation Products

Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd