Isovaleric acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    503-74-2

    Molecular formula
    C5H10O2

    SMILES
    CC(C)CC(=O)O
    HOOC

    Safety labels

    Corrosive
    Corrosive

    Retention indicies (RI)

    • DB5: 863.67
    • Carbowax: 1658.29

  • Odor profile

    fruity 95.47%
    cheesy 88.22%
    sour 69.47%
    sweaty 56.58%
    dairy 54.39%
    pungent 49.69%
    sharp 45.91%
    fatty 44.53%
    buttery 41.14%
    ripe 39.68%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.0015 [mmHg]. Odor Threshold High: 0.72 [mmHg]. Odor threshold from CHEMINFO

  • Properties

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

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • 0.3984 hPa @ 20°C
    • 0.6014 hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -29.3 °C

    Boiling point

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

    Flash point expt.

    • 70 °C

    Solubility expt.

    • 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
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

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%