Cas no 19876-64-3 (Benzenebutanol, d,4-dimethyl-)

Benzenebutanol, d,4-dimethyl- structure
Benzenebutanol, d,4-dimethyl- structure
Product Name:Benzenebutanol, d,4-dimethyl-
CAS No:19876-64-3
MF:C12H18O
MW:178.270723819733
CID:155634
PubChem ID:348861
Update Time:2025-04-19

Benzenebutanol, d,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenebutanol, d,4-dimethyl-
    • 4-(4-methylphenyl)pentan-1-ol
    • (+-)-4-p-Tolyl-pentan-1-ol
    • (+-)-5-Hydroxy-2-p-tolyl-pentan
    • (+-)-5-hydroxy-2-p-tolyl-pentane
    • 4-(p-Tolyl)-pentanol-(1)
    • 4-p-Tolyloxymethyl-benzoesaeure
    • 4-p-Tolyloxymethyl-benzoic acid
    • 4-p-tolylpentanol
    • AC1LHQ4W
    • AC1Q5TWN
    • AR-1H9209
    • benzoic acid, 4-[(4-methylphenoxy)methyl]-
    • CTK3B2559
    • Oprea1_645100
    • rac. 4-p-Tolyl-1-pentanol
    • AKOS024321890
    • 4-(p-tolyl)-1-pentanol
    • NSC-408357
    • NSC-408356
    • NSC408356
    • 19876-64-3
    • NSC408357
    • 4-(4-METHYLPHENYL)-1-PENTANOL
    • 33596-72-4
    • Inchi: 1S/C12H18O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13/h5-8,11,13H,3-4,9H2,1-2H3
    • InChI Key: NQFXUPWOCFVZPE-UHFFFAOYSA-N
    • SMILES: OCCCC(C)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 178.13584
  • Monoisotopic Mass: 178.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 125
  • 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: 2.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.956
  • Boiling Point: 284.5°Cat760mmHg
  • Flash Point: 117.1°C
  • Refractive Index: 1.513
  • PSA: 20.23
  • LogP: 2.87100
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