Cas no 19277-56-6 (Benzoic acid,4-methyl-, butyl ester)

Benzoic acid,4-methyl-, butyl ester structure
19277-56-6 structure
Product Name:Benzoic acid,4-methyl-, butyl ester
CAS No:19277-56-6
MF:C12H16O2
MW:192.254243850708
CID:216616
PubChem ID:87994
Update Time:2025-04-19

Benzoic acid,4-methyl-, butyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-methyl-, butyl ester
    • butyl 4-methylbenzoate
    • Butyl p-toluate
    • p-Toluic acid butyl ester
    • Benzoic acid, 4-methyl-, butyl ester
    • NSC24770
    • P-METHYLBENZOIC ACID BUTYL ESTER
    • O-TOLUIC ACID 2-BUTYL ESTER
    • Q63395336
    • N-BUTYL P-METHYLBENZOATE
    • p-Toluic acid, butyl ester
    • DTXSID3066475
    • NSC-24770
    • SCHEMBL1070842
    • 4-methylbenzoic acid butyl ester
    • UNII-PJW7Q3ONM1
    • NSC 24770
    • PJW7Q3ONM1
    • BUTYL P-METHYLBENZOATE
    • 19277-56-6
    • AI3-31109
    • Butyl 4-methylbenzoate #
    • BUTYL PARA TOLUATE
    • Inchi: 1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
    • InChI Key: UYGHRCCJWWYXMY-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(C)=CC=1)=O)CCCC

Computed Properties

  • Exact Mass: 192.11508
  • Monoisotopic Mass: 192.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 169
  • 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
  • XLogP3: 4.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
  • LogP: 2.95190
Recommended suppliers
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.