Cas no 5340-26-1 (Propanoic acid,2,2-dimethyl-, 2,2-dimethylpropyl ester)

Propanoic acid,2,2-dimethyl-, 2,2-dimethylpropyl ester structure
5340-26-1 structure
Product Name:Propanoic acid,2,2-dimethyl-, 2,2-dimethylpropyl ester
CAS No:5340-26-1
MF:C10H20O2
MW:172.264603614807
CID:367588
PubChem ID:219494
Update Time:2025-04-19

Propanoic acid,2,2-dimethyl-, 2,2-dimethylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2,2-dimethyl-, 2,2-dimethylpropyl ester
    • 2,2-dimethylpropyl 2,2-dimethylpropanoate
    • NEO-PENTYLPIVALATE
    • 2,2-dimethylpropyl 2,2-dimethylpropionate
    • 2,2-dimethylpropyl 2,2-dimethylpropionoate
    • 2,2-dimethylpropyl pivalate
    • 2,2-dimethylpropyl-2,2-dimethylproponate
    • neopentyl 2,2-dimethylpropanoate
    • neopentyl 2,2-dimethylpropionate
    • neopentyl pivalate
    • tBuCH2-O-CO-tBu
    • SCHEMBL733594
    • KEVRVUAKQLMNFS-UHFFFAOYSA-N
    • DTXSID60277110
    • 1-Propanol, 2,2-dimethyl-, pivalate
    • AKOS006281841
    • NSC-891
    • Pivalic acid, neopentyl ester
    • Propanoic acid, 2,2-dimethyl-, 2,2-dimethylpropyl ester
    • neopentyl trimethylacetate
    • AY99Z64JL3
    • 2, 2,2-DIMETHYLPROPYL ESTER
    • 2,2-dimethyl-propionic acid 2,2-dimethyl-propyl ester
    • NSC891
    • neopentyl neopentanoate
    • 2,2-Dimethylpropanoic acid 2,2-dimethylpropyl ester
    • 5340-26-1
    • Inchi： 1S/C10H20O2/c1-9(2,3)7-12-8(11)10(4,5)6/h7H2,1-6H3
    • InChI Key： KEVRVUAKQLMNFS-UHFFFAOYSA-N
    • SMILES： O(C(C(C)(C)C)=O)CC(C)(C)C

Computed Properties

  • Exact Mass: 172.14600
  • Monoisotopic Mass: 172.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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: 3.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 2.62180

Propanoic acid,2,2-dimethyl-, 2,2-dimethylpropyl ester Security Information

  • Hazardous Material transportation number：UN 1993
  • Safety Term：3.2
  • Packing Group：III
  • Packing Group：III
  • Hazard Level：3.2
  • HazardClass：3.2
  • PackingGroup：III

Propanoic acid,2,2-dimethyl-, 2,2-dimethylpropyl ester Customs Data

  • HS CODE：2915900090
  • Customs Data：

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. 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:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    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:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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