3-Methylbutanoic acid

  • Identifiers

    CAS mumber
    503-74-2

    Molecular formula
    C5H10O2

    SMILES
    CC(C)CC(=O)O

    Retention indicies (RI)

    • DB5: 863.67
    • Carbowax: 1658.29

  • Properties

    XLogP3-AA
    1.2 Well soluble in MMB, TEC, DEP

    Molecular weight
    102.13 g/mol

    Melting points

    • -29.3 °C
    • -29.3 °C
    • -29.3 °C

    Boiling points

    • 176.5 °C
    • 176.5 °C @ 760 MM HG
    • 175.00 to 177.00 °C. @ 760.00 mm Hg

    Flash points

    • 70 °C

    Solubilities

    • 40700 mg/L (at 20 °C)
    • SOL IN 24 PARTS WATER; SOL IN ALCOHOL, ETHER, CHLOROFORM
    • In water, 4.07X10+4 mg/l at 20 °C
    • 40.7 mg/mL
    • soluble in alcohol, ether and water

  • Synonyms

    • ISOVALERIC ACID
    • 3-Methylbutanoic acid
    • 503-74-2
    • Isopentanoic acid
    • 3-Methylbutyric acid
    • Delphinic acid
    • Isopropylacetic acid
    • Isovalerianic acid
    • Butanoic acid, 3-methyl-
    • Isobutylformic acid
    • Isovalerianic
    • beta-Methylbutyric acid
    • Acetic acid, isopropyl-
    • 3-Methylbutyrate
    • Butyric acid, 3-methyl-
    • 3-methyl-butanoic acid
    • Kyselina isovalerova
    • Isobutyl formic acid
    • Isovaleriansaeure
    • FEMA No. 3102
    • 3-methyl-n-butyric acid
    • Isovaleric acid (natural)
    • FEMA Number: 3102
    • 3-Methylbuttersaeure
    • 3-methyl butyric acid
    • 3-methyl-butyric acid
    • MFCD00002726
    • NSC 62783
    • HSDB 629
    • .beta.-Methylbutyric acid
    • EINECS 207-975-3
    • UNII-1BR7X184L5
    • BRN 1098522
    • DELPHINIC-ACID
    • DTXSID5029182
    • CHEBI:28484
    • AI3-24132
    • 1BR7X184L5
    • NSC-62783
    • 3,4-Diisovaleryl adrenaline
    • DTXCID309182
    • EC 207-975-3
    • 4-02-00-00895 (Beilstein Handbook Reference)
    • Butanoic acid, 3-methyl-, (R)-
    • IVA
    • ISOVALERIC ACID (MART.)
    • ISOVALERIC ACID [MART.]
    • Kyselina isovalerova [Czech]
    • 92634-50-9
    • METHYLBUTANOIC ACID
    • b-Methylbutyrate
    • iso-valeric acid
    • 3-Methylbutanoicacid
    • b-Methylbutyric acid
    • iso-C4H9COOH
    • Isovaleric acid, 99%
    • bmse000373
    • Isovaleric acid (Standard)
    • SCHEMBL43436
    • ISOVALERIC ACID [MI]
    • ISOVALERIC ACID [FCC]
    • ISOVALERIC ACID [FHFI]
    • ISOVALERIC ACID [HSDB]
    • CHEMBL568737
    • WLN: QV1Y1&1
    • ISOVALERIC ACID [WHO-DD]
    • BCP32116
    • HY-W012980R
    • NSC62783
    • STR08356
    • Isovaleric acid, analytical standard
    • Tox21_201604
    • BBL027399
    • Isovaleric acid (mixture of isomers)
    • LMFA01020181
    • s6287
    • STL146358
    • AKOS000119861
    • Isovaleric acid, >=99%, FCC, FG
    • CS-W013696
    • DB03750
    • FM15957
    • HY-W012980
    • 3-Methylbutyric acid: isopropyl-Acetate
    • Isovaleric acid sodium salt (Salt/Mix)
    • Isovaleric acid, natural, >=98%, FG
    • NCGC00249082-01
    • NCGC00259153-01
    • 35915-22-1
    • CAS-503-74-2
    • 3-Methylbutyric acid: isopropyl-Acetic acid
    • M0182
    • NS00001831
    • EN300-19718
    • C08262
    • D78213
    • Q415536
    • F2191-0067
    • Z104474910
    • 3-Methylbutanoic acid;3-Methylbutyric acid;Isopentanoic acid
    • InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7
    • 207-975-3
1 3

Botanical

Name CAS Botanical Proportion
Atractylis Atractylodes lancea (Thunb.) DC. (A. ovata Thunb.; A. chinensis (Bunge)DC) 0.05%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.13%
Viburnum orientale leaf Viburnum orientale Pallas, fam. Caprifoliaceae 5.4%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.62%
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 3.8%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 0.05%
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 7.93%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.11%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 1.8%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.01%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.2%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.01%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%