Cas no 140-21-6 (Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1))

Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1) structure
140-21-6 structure
Product Name:Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1)
CAS No:140-21-6
MF:C11H11NaO4
MW:230.192414522171
CID:173007
PubChem ID:23690435
Update Time:2025-04-19

Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1)
    • SODIUM BENZYLSUCCINATE
    • 3-(Phenylmethoxycarbonyl)propanoic acid sodium salt
    • Butanedioic acid 1-benzyl 4-sodium salt
    • sodium 3-benzyloxycarbonyl-propionate
    • NSC 4890
    • SCHEMBL5988528
    • Natriumbenzylsuccinat
    • SODIUM MONOBENZYL SUCCINATE
    • YGNKLAAUOIITPV-UHFFFAOYSA-M
    • NSC-4890
    • sodium;4-oxo-4-phenylmethoxybutanoate
    • sodium 4-(benzyloxy)-4-oxobutanoate
    • Sodium benzyl succinate
    • EINECS 205-402-1
    • 140-21-6
    • Succinic acid, benzyl ester sodium salt
    • Q27279206
    • DTXSID401347625
    • GP2479U9GA
    • NS00079204
    • UNII-GP2479U9GA
    • Inchi： 1S/C11H12O4.Na/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,12,13);/q;+1/p-1
    • InChI Key： YGNKLAAUOIITPV-UHFFFAOYSA-M
    • SMILES： [Na+].O(C(CCC(=O)[O-])=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 230.05600
  • Monoisotopic Mass: 230.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 224
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.4A^2

Experimental Properties

  • Boiling Point: 368.5°Cat760mmHg
  • Flash Point: 144.5°C
  • PSA: 66.43000
  • LogP: 0.25990

Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1) Customs Data

  • HS CODE：2918990090
  • Customs Data：

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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