Cas no 30609-21-3 (Benzenemethanol, 3-butoxy-)

Benzenemethanol, 3-butoxy- structure
Benzenemethanol, 3-butoxy- structure
Product Name:Benzenemethanol, 3-butoxy-
CAS No:30609-21-3
MF:C11H16O2
MW:180.243543624878
MDL:MFCD11149510
CID:1443848
PubChem ID:22158264
Update Time:2025-04-20

Benzenemethanol, 3-butoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 3-butoxy-
    • A1-19927
    • (3-Butoxyphenyl)methanol
    • DTXSID601313569
    • CS-0333209
    • 3-n-Butoxybenzyl alcohol
    • SB84810
    • 30609-21-3
    • SCHEMBL8036345
    • AKOS000247826
    • 3-Butoxybenzenemethanol
    • MDL： MFCD11149510
    • Inchi： 1S/C11H16O2/c1-2-3-7-13-11-6-4-5-10(8-11)9-12/h4-6,8,12H,2-3,7,9H2,1H3
    • InChI Key： XTOBUABQVGTVRJ-UHFFFAOYSA-N
    • SMILES： O(C1C=CC=C(CO)C=1)CCCC

Computed Properties

  • Exact Mass: 180.11508
  • Monoisotopic Mass: 180.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 125
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 294.7±15.0 °C at 760 mmHg
  • Flash Point: 123.9±14.6 °C
  • PSA: 29.46
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Benzenemethanol, 3-butoxy- Security Information

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