Cas no 646-07-1 (4-Methylpentanoic acid)

4-Methylpentanoic acid structure
4-Methylpentanoic acid structure
Product Name:4-Methylpentanoic acid
CAS No:646-07-1
MF:C6H12O2
MW:116.158282279968
MDL:MFCD00002803
CID:39413
PubChem ID:12587
Update Time:2025-04-18

4-Methylpentanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methylpentanoic acid
    • RARECHEM AL BO 0172
    • PENTANOIC ACID, 4-METHYL-
    • 3-methylbutanecarboxylicacid
    • 4,4-Dimethylbutanoic acid
    • 4-methyl-pentanoicaci
    • 4-Methylpentansαure
    • 4-Methylvaleriansαure
    • 4-Methylvaleric acid
    • 4-Methylvaleric Acid (contains 3-Methylvaleric Acid)
    • ISOCAPROIC ACID(SG)
    • Isocaproicacid
    • Isocaproic acid
    • Isohexanoic acid
    • Isobutylacetic acid
    • 4-methyl-pentanoic acid
    • 4-METHYL VALERIC ACID
    • Valeric acid, 4-methyl-
    • 4-Methyl-n-valeric acid
    • Isohexoic acid
    • 3-Methylbutane-1-carboxylic acid
    • Isocaproate
    • FEMA No. 3463
    • 4-methyl-Valeric acid
    • 4G4U8JA28T
    • Isohexanoic acid, mixed isomers
    • Isohex
    • MDL： MFCD00002803
    • Inchi： 1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
    • InChI Key： FGKJLKRYENPLQH-UHFFFAOYSA-N
    • SMILES： CC(CCC(=O)O)C
    • BRN： 1741912

Computed Properties

  • Exact Mass: 116.08400
  • Monoisotopic Mass: 116.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 76.6
  • 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
  • Surface Charge: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: An unpleasant light brown liquid.
  • Density: 0.923?g/mL?at 25?°C(lit.)
  • Melting Point: -35 oC
  • Boiling Point: 201°C(lit.)
  • Flash Point: Fahrenheit: 206.6 ° f
    Celsius: 97 ° c
  • Refractive Index: n20/D 1.414(lit.)
  • Water Partition Coefficient: Insoluble
  • Stability/Shelf Life: Stable. Incompatible with strong bases, strong oxidizing agents.
  • PSA: 37.30000
  • LogP: 1.50720
  • FEMA: 3463
  • pka: 4.84(at 18℃)
  • Solubility: Slightly soluble in water, soluble in ethanol and diethyl ether.

4-Methylpentanoic acid Security Information

  • Symbol: GHS06
  • Prompt：dangerous
  • Signal Word：Danger
  • Hazard Statement： H311,H315
  • Warning Statement： P280,P312
  • Hazardous Material transportation number：UN 2810 6.1/PG 3
  • WGK Germany：3
  • Hazard Category Code： 21-38
  • Safety Instruction： S36/37-S45-S36/37/39-S25
  • FLUKA BRAND F CODES：13
  • RTECS：NR2975000
  • Hazardous Material Identification： Xn
  • HazardClass：8
  • PackingGroup：III
  • TSCA：T
  • Packing Group：III
  • Hazard Level：8
  • Safety Term：8
  • Packing Group：III
  • Risk Phrases：R21; R34; R38
  • Storage Condition：Store at 4°C,-4At ℃Store…Better

4-Methylpentanoic acid Customs Data

  • HS CODE：29159080
  • 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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4-Methylpentanoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Catalysts: Molybdenum ,  Copper Solvents: Methanol ,  Water ;  7 h, 220 °C
1.2 Reagents: Water
Reference
Cu-Mo doped zeolite ZSM-5 catalyzed conversion of lignin to alkyl phenols with high selectivity
Singh, Sunit Kumar; et al, Catalysis Science & Technology, 2015, 5(4), 2117-2124

4-Methylpentanoic acid Raw materials

4-Methylpentanoic acid Preparation Products

4-Methylpentanoic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:646-07-1)4-Methylpentanoicacid
Order Number:LE11575;LE2469097;LE1274
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:05
Price ($):discuss personally

4-Methylpentanoic acid Related Literature

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646-07-1 (4-Methylpentanoic acid) Related Products

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:646-07-1)4-Methylpentanoicacid
LE11575;LE2469097;LE1274
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
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