Cas no 20667-04-3 (2-ethylhexane-1,2-diol)

2-ethylhexane-1,2-diol structure
2-ethylhexane-1,2-diol structure
Product Name:2-ethylhexane-1,2-diol
CAS No:20667-04-3
MF:C8H18O2
MW:146.227323055267
CID:1399530
PubChem ID:242933
Update Time:2025-04-20

2-ethylhexane-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 2-ethylhexane-1,2-diol
    • 1,2-Dihydroxy-2-ethylhexan
    • AR-1E1552
    • CTK4E4826
    • 2-ethyl-1,2-hexanediol
    • NSC51965
    • 2-Aethyl-hexan-1,2-diol
    • AG-K-86120
    • AC1Q7BOI
    • AC1L6AHG
    • 2-ethyl-hexane-1,2-diol
    • 1,2-Dihydroxy-2-ethylhexan; AR-1E1552; CTK4E4826; 2-ethyl-1,2-hexanediol; NSC51965; 2-Aethyl-hexan-1,2-diol; AG-K-86120; AC1Q7BOI; AC1L6AHG; 2-ethyl-hexane-1,2-diol;
    • NACLMQVDUHEFQS-UHFFFAOYSA-N
    • 20667-04-3
    • DTXSID60287653
    • NSC-51965
    • DS-013231
    • AKOS021031670
    • SCHEMBL431427
    • Inchi: 1S/C8H18O2/c1-3-5-6-8(10,4-2)7-9/h9-10H,3-7H2,1-2H3
    • InChI Key: NACLMQVDUHEFQS-UHFFFAOYSA-N
    • SMILES: OC(CO)(CC)CCCC

Computed Properties

  • Exact Mass: 146.13074
  • Monoisotopic Mass: 146.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 83.3
  • 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: 1.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
  • LogP: 1.31000

2-ethylhexane-1,2-diol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lactic acid ,  NADH ,  L-Lactate dehydrogenase ,  Putidaredoxin reductase Catalysts: Camphor 5-monooxygenase Solvents: Water
Reference
Benign Synthesis of 2-Ethylhexanoic Acid by Cytochrome P450cam: Enzymatic, Crystallographic, and Theoretical Studies
French, Kevin J.; Strickler, Michael D.; Rock, Dan A.; Rock, Denise A.; Bennett, Grace A.; et al, Biochemistry, 2001, 40(32), 9532-9538

2-ethylhexane-1,2-diol Raw materials

2-ethylhexane-1,2-diol Preparation Products

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