3-Methyl crotonic acid

  • Identifiers

    CAS number
    541-47-9

    Molecular formula
    C5H8O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1753.0
  • Odor profile

    herbal 70.57%
    green 64.79%
    spicy 62.82%
    sweet 57.9%
    caramellic 49.26%
    woody 47.14%
    phenolic 43.35%
    pungent 42.61%
    mint 42.3%
    vegetable 41.99%

    Scent© AI

  • Properties

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

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • 0.1236 hPa @ 20°C
    • 0.1944 hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 65 °C

    Boiling point

    • 195.00 to 197.00 °C. @ 760.00 mm Hg

    Solubility expt.

    • 10 mg/mL
    • Soluble in most organic solvents
    • soluble (in ethanol)

  • Synonyms

    • 3,3-Dimethylacrylic acid
    • 3-methylbut-2-enoic acid
    • 541-47-9
    • Senecioic acid
    • 3-Methylcrotonic acid
    • 2-Butenoic acid, 3-methyl-
    • 3-METHYL-2-BUTENOIC ACID
    • SENECIC ACID
    • beta,beta-Dimethylacrylic acid
    • Crotonic acid, 3-methyl-
NaN of -Infinity
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
Name CAS Botanical Proportion
Perilla frutescens (Japan) 2 90082-61-4 Perilla frutescens Brit. (P. nankinensis x P frutescens), fam. Lamiaceae 7.45%
Perilla frutescens (Japan) 1 90082-61-4 Perilla frutescens Brit. (P. nankinensis Decne), fam. Lamiaceae (Labiatae) 2.25%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%