Cas no 539-66-2 (Sodium Isovalerate)

Sodium Isovalerate structure
Sodium Isovalerate structure
Product Name:Sodium Isovalerate
CAS No:539-66-2
MF:C5H9NaO2
MW:124.113532781601
CID:375608
PubChem ID:23673832
Update Time:2025-04-19

Sodium Isovalerate Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,3-methyl-, sodium salt (1:1)
    • ISOVALERIC ACID SODIUM SALT
    • sodium,3-methylbutanoate
    • 3-methylbutyric acid sodium salt
    • EINECS 208-723-5
    • isopentanoic acid Na-salt
    • Sodium isovalerate
    • sodium salt of isovaleric acid
    • isovaleriansaurem Natrium
    • Sodiumisovalerate
    • DTXSID00202168
    • Q27262949
    • JJZAWYXASMCCLB-UHFFFAOYSA-M
    • BUTANOIC ACID, 3-METHYL-, SODIUM SALT (1:1)
    • NS00080217
    • CHEMBL1762642
    • EN300-7593223
    • sodium;3-methylbutanoate
    • 5W4HQA4N4H
    • SCHEMBL123994
    • SODIUM 3-METHYLBUTYRATE
    • BUTANOIC ACID, 3-METHYL-, SODIUM SALT
    • 539-66-2
    • FT-0632342
    • UNII-5W4HQA4N4H
    • ISOVALERIC ACID, SODIUM SALT
    • sodium 3-methylbutanoate
    • Sodium Isovalerate
    • Inchi: 1S/C5H10O2.Na/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+1/p-1
    • InChI Key: JJZAWYXASMCCLB-UHFFFAOYSA-M
    • SMILES: [Na+].[O-]C(CC(C)C)=O

Computed Properties

  • Exact Mass: 124.05000
  • Monoisotopic Mass: 124.05
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 70.8
  • 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: 40.1A^2

Experimental Properties

  • Boiling Point: 175.3°Cat760mmHg
  • Flash Point: 73.4°C
  • PSA: 40.13000
  • LogP: -0.21760

Sodium Isovalerate 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%

Sodium Isovalerate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
S539660-100mg
Sodium Isovalerate
539-66-2
100mg
$133.00 2023-05-17
TRC
S539660-500mg
Sodium Isovalerate
539-66-2
500mg
$563.00 2023-05-17
TRC
S539660-1g
Sodium Isovalerate
539-66-2
1g
$ 825.00 2022-06-02
TRC
S539660-1000mg
Sodium Isovalerate
539-66-2
1g
$999.00 2023-05-17
Enamine
EN300-7593223-0.05g
sodium 3-methylbutanoate
539-66-2 95.0%
0.05g
$73.0 2025-03-22

Sodium Isovalerate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen Catalysts: Palladium Solvents: Methyl isobutyl ketone ,  Water ;  15 bar, rt; rt → 105 °C
1.2 3 h, 105 - 110 °C; 1 h, 20 bar, 105 - 110 °C
Reference
Improved process for the production of 6-methylheptan-2-one
, World Intellectual Property Organization, , ,

Sodium Isovalerate Preparation Products

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