Cas no 16287-68-6 (Hexitol,1,4-anhydro-, 6-dodecanoate)

Hexitol,1,4-anhydro-, 6-dodecanoate structure
16287-68-6 structure
Product Name:Hexitol,1,4-anhydro-, 6-dodecanoate
CAS No:16287-68-6
MF:C18H34O6
MW:346.458966732025
CID:235073
PubChem ID:347468
Update Time:2025-04-19

Hexitol,1,4-anhydro-, 6-dodecanoate Chemical and Physical Properties

Names and Identifiers

    • Hexitol,1,4-anhydro-, 6-dodecanoate
    • [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] dodecanoate
    • 2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl dodecanoate
    • AC1L87DU
    • AGN-PC-000CCO
    • NSC406169
    • NSC-406169
    • SureCN3835
    • SCHEMBL3835
    • 3,6-Anhydro-1-O-dodecanoylhexitol
    • Span 20
    • CHEBI:169001
    • NS00132713
    • DTXSID70324260
    • Sorbitan monolaurate, BAN, USAN
    • Span 20 (TN)
    • Sorbester P12
    • 1338-39-2
    • FT-0633525
    • E493
    • 16287-68-6
    • 1,4-anhydro-6-O-dodecanoyl-D-glucitol
    • CHEMBL1706633
    • Sorbitan laurate, INN
    • LMFA07011017
    • Sorbitan monolaurate
    • NCGC00160357-01
    • D-Glucitol, 1,4-anhydro-, 6-dodecanoate
    • Sorbitan monolaurate (NF)
    • SORBITAN MONODODECANOATE
    • Sorbitan laurate
    • LS-14690
    • Sorbitan laurate (INN)
    • Inchi: 1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3
    • InChI Key: LWZFANDGMFTDAV-UHFFFAOYSA-N
    • SMILES: O1CC(C(C1C(COC(CCCCCCCCCCC)=O)O)O)O

Computed Properties

  • Exact Mass: 346.23562
  • Monoisotopic Mass: 346.236
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 14
  • Complexity: 336
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 96.2?2

Experimental Properties

  • Density: 1.123
  • Boiling Point: 516.1°Cat760mmHg
  • Flash Point: 176.9°C
  • PSA: 96.22
  • LogP: 1.93200
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