Cas no 96882-98-3 (1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI))

1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI) structure
96882-98-3 structure
Product Name:1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI)
CAS No:96882-98-3
MF:C10H14O4S
MW:230.280762195587
CID:803071
PubChem ID:10878959
Update Time:2025-04-19

1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI)
    • (S)-(+)-2-(P-TOLUENESULFONATE)-1,2-PROPANEDIOL
    • (S)-(+)-2-(P-TOLUENESULFONATE)-1,2-PROPANIOL
    • [(2S)-1-hydroxypropan-2-yl] 4-methylbenzenesulfonate
    • (S)-1,2-propanediol 2-tosylate
    • (S)-2-(tosyloxy)propan-1-ol
    • 1,2-Propanediol,2-(4-methylbenzenesulfonate),(S)-(9ci)
    • AKOS015961535
    • DTXSID00446883
    • (R)-(-)-2-(p-toluenesulfonate)-1,2-Propaniol
    • 96882-98-3
    • AC-14038
    • (S)-1-hydroxypropan-2-yl 4-methylbenzenesulfonate
    • SCHEMBL8356278
    • Inchi： 1S/C10H14O4S/c1-8-3-5-10(6-4-8)15(12,13)14-9(2)7-11/h3-6,9,11H,7H2,1-2H3/t9-/m0/s1
    • InChI Key： UADUJNAWMVEFHR-VIFPVBQESA-N
    • SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O[C@@H](C)CO

Computed Properties

  • Exact Mass: 230.06100
  • Monoisotopic Mass: 230.06128010g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 72?2

Experimental Properties

  • Density: 1.246
  • Boiling Point: 379.5°Cat760mmHg
  • Flash Point: 183.3°C
  • Refractive Index: 1.532
  • PSA: 71.98000
  • LogP: 2.16190

1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI) Customs Data

  • HS CODE：2905399090
  • Customs Data：

    China Customs Code:

    2905399090

    Overview:

    2905399090 Other diols.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2905399090 other diols.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

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