Cas no 21996-61-2 ((3R)-3-(hydroxymethyl)cyclohexanone)

(3R)-3-(hydroxymethyl)cyclohexanone structure
21996-61-2 structure
Product Name:(3R)-3-(hydroxymethyl)cyclohexanone
CAS No:21996-61-2
MF:C7H12O2
MW:128.168982505798
CID:850580
PubChem ID:12201678
Update Time:2025-04-19

(3R)-3-(hydroxymethyl)cyclohexanone Chemical and Physical Properties

Names and Identifiers

    • (R)-3-(Hydroxymethyl)cyclohexanone
    • (3-Oxocyclohex-1-yl)methanol
    • 3-(Hydroxymethyl)cyclohexan-1-one
    • 3-(Hydroxymethyl)cyclohexanone
    • (3R)-3-(hydroxymethyl)cyclohexanone
    • OTZGKTIHFHBTGZ-UHFFFAOYSA-N
    • AKOS006331824
    • Y10198
    • 21996-61-2
    • MFCD09414734
    • (3S)-3-(hydroxymethyl)cyclohexanone
    • DB-011098
    • SB45548
    • 32916-58-8
    • DTXSID201306160
    • CS-0216970
    • SCHEMBL3437926
    • EN300-6512849
    • DB-068715
    • SB84080
    • Inchi： 1S/C7H12O2/c8-5-6-2-1-3-7(9)4-6/h6,8H,1-5H2
    • InChI Key： OTZGKTIHFHBTGZ-UHFFFAOYSA-N
    • SMILES： OCC1CC(CCC1)=O

Computed Properties

  • Exact Mass: 128.08400
  • Monoisotopic Mass: 128.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.054±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 239.8±13.0 oC (760 Torr),
  • Flash Point: 98.0±12.4 oC,
  • Solubility: Dissolution (95 g/l) (25 o C),
  • PSA: 37.30000
  • LogP: 0.73800

(3R)-3-(hydroxymethyl)cyclohexanone Pricemore >>

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(3R)-3-(hydroxymethyl)cyclohexanone
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