Cas no 93923-83-2 (1,2-Cyclohexanedicarboxylicacid, 1-[5-hydroxy-3-(hydroxymethyl)pentyl] ester)

1,2-Cyclohexanedicarboxylicacid, 1-[5-hydroxy-3-(hydroxymethyl)pentyl] ester structure
93923-83-2 structure
Product Name:1,2-Cyclohexanedicarboxylicacid, 1-[5-hydroxy-3-(hydroxymethyl)pentyl] ester
CAS No:93923-83-2
MF:C14H24O6
MW:288.336765289307
CID:811144
PubChem ID:44145187
Update Time:2025-04-19

1,2-Cyclohexanedicarboxylicacid, 1-[5-hydroxy-3-(hydroxymethyl)pentyl] ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclohexanedicarboxylicacid, 1-[5-hydroxy-3-(hydroxymethyl)pentyl] ester
    • [5-hydroxy-3-(hydroxymethyl)pentyl] hydrogen cyclohexane-1,2-dicarboxylate
    • 2-[5-hydroxy-3-(hydroxymethyl)pentoxy]carbonylcyclohexane-1-carboxylic acid
    • 93923-83-2
    • DTXSID20917040
    • EINECS 300-173-5
    • 2-({[5-HYDROXY-3-(HYDROXYMETHYL)PENTYL]OXY}CARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACID
    • (5-Hydroxy-3-(hydroxymethyl)pentyl) hydrogen cyclohexane-1,2-dicarboxylate
    • NS00064258
    • Inchi： 1S/C14H24O6/c15-7-5-10(9-16)6-8-20-14(19)12-4-2-1-3-11(12)13(17)18/h10-12,15-16H,1-9H2,(H,17,18)
    • InChI Key： QMAPLURXUAQAPQ-UHFFFAOYSA-N
    • SMILES： O(CCC(CO)CCO)C(C1CCCCC1C(=O)O)=O

Computed Properties

  • Exact Mass: 288.157
  • Monoisotopic Mass: 288.157
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 9
  • Complexity: 317
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 104A^2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 494.9°Cat760mmHg
  • Flash Point: 182.1°C
  • Refractive Index: 1.517

1,2-Cyclohexanedicarboxylicacid, 1-[5-hydroxy-3-(hydroxymethyl)pentyl] ester Related Literature

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