Cas no 3425-72-7 (Benzenemethanol, a,a-dimethyl-, 1-acetate)

Benzenemethanol, a,a-dimethyl-, 1-acetate structure
3425-72-7 structure
Product Name:Benzenemethanol, a,a-dimethyl-, 1-acetate
CAS No:3425-72-7
MF:C11H14O2
MW:178.227663516998
CID:315664
PubChem ID:76963
Update Time:2025-04-19

Benzenemethanol, a,a-dimethyl-, 1-acetate Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, a,a-dimethyl-, 1-acetate
    • 2-phenylpropan-2-yl acetate
    • Α,Α-DIMETHYLBENZYL ALCOHOL ACETATE
    • Benzenemethanol,a,a-dimethyl-, acetate (9CI)
    • Benzyl alcohol, a,a-dimethyl-, acetate (6CI,7CI,8CI)
    • 1-Acetoxy-1-methylethylbenzene
    • 2-Phenyl-2-propyl acetate
    • Cumyl acetate
    • Methyl(phenylmethyl)carbinol acetate
    • a,a-Dimethylbenzyl acetate
    • Acetic acid, 2-phenyl-2-propyl ester
    • NS00049469
    • 3425-72-7
    • XPMMKIYJJWQFOR-UHFFFAOYSA-N
    • 1-Methyl-1-phenylethyl acetate
    • SCHEMBL42458
    • Benzyl alcohol, alpha,alpha-dimethyl-, acetate
    • Benzenemethanol, alpha,alpha-dimethyl-, acetate
    • AI3-24749
    • Benzenemethanol, .alpha.,.alpha.-dimethyl-, 1-acetate
    • Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
    • 1-Methyl-1-phenylethyl acetate #
    • Benzenemethanol, .alpha.,.alpha.-dimethyl-, acetate
    • EINECS 222-322-2
    • DTXSID00863172
    • Inchi: 1S/C11H14O2/c1-9(12)13-11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3
    • InChI Key: XPMMKIYJJWQFOR-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C(C)(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 179
  • 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: 26.3A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.012
  • Boiling Point: 227.5°Cat760mmHg
  • Flash Point: 90.3°C
  • Refractive Index: 1.491
  • PSA: 26.3

Benzenemethanol, a,a-dimethyl-, 1-acetate Production Method

Production Method 1

Reaction Conditions
1.1C:Si(OEt)4, C:7699-43-6, S:108-29-2, 15 min, rt → 250°C; 5 h, 250°C; 5 min, cooled
1.2S:H2O, 10 min, cooled
Reference
Enhanced Acid-Catalyzed Lignin Depolymerization in a Continuous Reactor with Stable Activity
By Nandiwale, Kakasaheb Y. et al, ACS Sustainable Chemistry & Engineering, 2020, 8(10), 4096-4106

Benzenemethanol, a,a-dimethyl-, 1-acetate Raw materials

Benzenemethanol, a,a-dimethyl-, 1-acetate Preparation Products

Benzenemethanol, a,a-dimethyl-, 1-acetate Related Literature

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