Cas no 350997-58-9 (3-Isobutoxybenzoic acid)

3-Isobutoxybenzoic acid structure
3-Isobutoxybenzoic acid structure
Product Name:3-Isobutoxybenzoic acid
CAS No:350997-58-9
MF:C11H14O3
MW:194.227063655853
MDL:MFCD01993662
CID:853220
PubChem ID:841792
Update Time:2025-04-19

3-Isobutoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Isobutoxybenzoic acid
    • 3-(2-methylpropoxy)Benzoic acid
    • Benzoic acid, 3-(2-methylpropoxy)-
    • STK325200
    • Z57046986
    • 3-isobutoxybenzoicacid
    • DTXSID30357059
    • VS-02102
    • AC5970
    • MFCD01993662
    • 350997-58-9
    • BBL009538
    • SCHEMBL931583
    • SY014317
    • HMS1780G16
    • 3-isobutoxy-benzoic acid
    • J-019881
    • EN300-11405
    • AKOS000109255
    • ALBB-000783
    • HNFBIJQQSNTRRR-UHFFFAOYSA-N
    • DB-069114
    • CS-0206577
    • AK-968/41011299
    • MDL: MFCD01993662
    • Inchi: 1S/C11H14O3/c1-8(2)7-14-10-5-3-4-9(6-10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
    • InChI Key: HNFBIJQQSNTRRR-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C(=O)O)C=1)CC(C)C

Computed Properties

  • Exact Mass: 194.09400
  • Monoisotopic Mass: 194.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 189
  • 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: 3.4
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Melting Point: 87-88°C
  • PSA: 46.53000
  • LogP: 2.41960

3-Isobutoxybenzoic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-Isobutoxybenzoic acid 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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3-Isobutoxybenzoic acid Production Method

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