Cas no 6624-59-5 (2-Heptanol, 2-benzoate)

2-Heptanol, 2-benzoate structure
2-Heptanol, 2-benzoate structure
Product Name:2-Heptanol, 2-benzoate
CAS No:6624-59-5
MF:C14H20O2
MW:220.307404518127
CID:507004
PubChem ID:243678
Update Time:2025-04-19

2-Heptanol, 2-benzoate Chemical and Physical Properties

Names and Identifiers

    • 2-Heptanol, 2-benzoate
    • heptan-2-yl benzoate
    • 2-Heptylbenzoic acid
    • DTXSID901347868
    • 2-Heptyl benzoate
    • NSC53806
    • WMGISUKBJZWCDP-UHFFFAOYSA-N
    • Benzoic acid, hept-2-yl ester
    • 2-Heptanol, benzoate
    • 6624-59-5
    • SCHEMBL6546118
    • NSC-53806
    • NSC 53806
    • Inchi： 1S/C14H20O2/c1-3-4-6-9-12(2)16-14(15)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3
    • InChI Key： WMGISUKBJZWCDP-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1)=O)C(C)CCCCC

Computed Properties

  • Exact Mass: 220.14600
  • Monoisotopic Mass: 220.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.971
  • Boiling Point: 296°C at 760 mmHg
  • Flash Point: 124.7°C
  • Refractive Index: 1.491
  • PSA: 26.30000
  • LogP: 3.81220

2-Heptanol, 2-benzoate Customs Data

  • HS CODE：2916310090
  • Customs Data：

    China Customs Code:

    2916310090

    Overview:

    2916310090 Other benzoic acids and their salts and esters. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    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:

    2916310090 other benzoic acid and its salts and esters.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:6.5%.general tariff:30.0%

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