Cas no 220497-69-8 (Butanedioic acid,2-(cyclohexylmethyl)-, 1-methyl ester, (2S)-)

Butanedioic acid,2-(cyclohexylmethyl)-, 1-methyl ester, (2S)- structure
220497-69-8 structure
Product Name:Butanedioic acid,2-(cyclohexylmethyl)-, 1-methyl ester, (2S)-
CAS No:220497-69-8
MF:C12H20O4
MW:228.284804344177
CID:243951
PubChem ID:22831490
Update Time:2025-04-19

Butanedioic acid,2-(cyclohexylmethyl)-, 1-methyl ester, (2S)- Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,2-(cyclohexylmethyl)-, 1-methyl ester, (2S)-
    • (S)-2-(Cyclohexylmethyl)succinic acid-1-methyl ester
    • (3S)-3-(cyclohexylmethyl)-4-methoxy-4-oxobutanoic acid
    • (S)-2-(Cyclohe
    • (S)-2-(CYCLOHEXYLMETHYL)SUCCINIC ACID-1- METHYL ESTER, ( E.E.)
    • (S)-2-cyclohexylmethylsuccinic acid 1-methyl ester
    • (S)-2-cyclohexylmethyl-succinic acid 1-methyl ester
    • (S)-3-methoxycarbonyl-4-cyclohexylbutyric acid
    • (S)-4-CYCLOHEXYL-3-(METHOXYCARBONYL)BUTYRIC ACID
    • (S)-4-Methoxy-3-cyclohexylmethyl-4-oxobutanoic Acid
    • (S)-cyclohexylmethylsuccinic acid 1-methyl ester
    • S)-4-Cyclohexyl-3-(methoxycarbonyl)butyric acid
    • (S)-(-)-2-(Cyclohexylmethyl)succinic acid 1-methyl ester
    • SCHEMBL390537
    • AKOS015892695
    • A4461
    • ((2S)-2-methoxycyclohexyl)methyl 4-oxobutanoate
    • 1-Methyl (2S)-2-(cyclohexylmethyl)butanedioate
    • (S)-3-(Cyclohexylmethyl)-4-methoxy-4-oxobutanoicacid
    • (S)-4-Methoxy-3-cyclohexylmethyl-4-oxobutanoicAcid
    • (S)-3-(Cyclohexylmethyl)-4-methoxy-4-oxobutanoic acid
    • AC-26764
    • DTXSID401248562
    • 220497-69-8
    • TYYNOKUMAOAVBK-JTQLQIEISA-N
    • Inchi： 1S/C12H20O4/c1-16-12(15)10(8-11(13)14)7-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)/t10-/m0/s1
    • InChI Key： TYYNOKUMAOAVBK-JTQLQIEISA-N
    • SMILES： O(C)C([C@H](CC(=O)O)CC1CCCCC1)=O

Computed Properties

  • Exact Mass: 228.13600
  • Monoisotopic Mass: 228.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 243
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6A^2
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: Transparent colorless to yellowish viscous liquid
  • Density: 1.094
  • Boiling Point: 330.1°C (rough estimate)
  • Flash Point: 133.2°C
  • Refractive Index: 1.4815 (estimate)
  • PSA: 63.60000
  • LogP: 2.22070

Butanedioic acid,2-(cyclohexylmethyl)-, 1-methyl ester, (2S)- Security Information

  • Safety Instruction： S24/25
  • Safety Term：S24/25

Butanedioic acid,2-(cyclohexylmethyl)-, 1-methyl ester, (2S)- Related Literature

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