3-Methylcinnamic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3029-79-6

    Molecular formula
    C10H10O2

    SMILES
    CC1=CC(=CC=C1)/C=C/C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 72.9%
    Balsamic 66.55%
    Honey 54.66%
    Spicy 47.95%
    Cinnamon 47.39%
    Floral 45.45%
    Powdery 43.03%
    Phenolic 35.42%
    Vanilla 32.86%
    Almond 32.43%

     

    Flavor
    Sweet 61.75%
    Balsam 52.61%
    Honey 38.74%
    Cinnamon 35.56%
    Balsamic 35.55%
    Phenolic 32.86%
    Cherry 27.38%
    Odorless 26.27%
    Powdery 25.66%
    Faint 25.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.18 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 149.98 ˚C est.

  • Synonyms

    • 3-Methylcinnamic acid
    • 3029-79-6
    • (E)-3-(m-Tolyl)acrylic acid
    • m-Methylcinnamic acid
    • 3-m-Tolylacrylic acid
    • (2E)-3-(3-methylphenyl)acrylic acid
    • (2E)-3-(3-methylphenyl)prop-2-enoic acid
    • 3-Methyl-trans-cinnamic acid
    • Cinnamic acid, m-methyl-
    • trans-m-Methylcinnamic acid
    • EINECS 221-199-2
    • 377B8288XF
    • CHEBI:61118
    • RefChem:94863
    • 221-199-2
    • 621-966-5
    • JZINNAKNHHQBOS-AATRIKPKSA-N
    • 14473-89-3
    • 3-(m-Tolyl)acrylic acid
    • 2-Propenoic acid, 3-(3-methylphenyl)-
    • 2-Propenoic acid, 3-(3-methylphenyl)-, (2E)-
    • (E)-3-(3-methylphenyl)prop-2-enoic acid
    • (2E)-3-(3-Methylphenyl)-2-propenoic acid
    • MFCD00016844
    • (E)-3-(m-tolyl)prop-2-enoic acid
    • 3-(3-Methylphenyl)-2-propenoic acid
    • 3-(3-methylphenyl)acrylic acid
    • (e)-3-methylcinnamic acid
    • SCHEMBL79073
    • (E)-3-m-tolyl-acrylic acid
    • (E)-3-(m-Tolyl)acrylicacid
    • CHEMBL458113
    • SCHEMBL1510047
    • SCHEMBL1510657
    • SCHEMBL29426419
    • UNII-377B8288XF
    • DTXSID001044346
    • ALBB-021134
    • CS-M2096
    • PAA47389
    • AC7519
    • BBL021048
    • SBB006620
    • STK893754
    • AKOS000263597
    • FM66109
    • NCGC00336869-01
    • AS-38467
    • AS-63141
    • M1298
    • NS00047791
    • ST50827067
    • EN300-11154
    • (2E)-3-(3-Methylphenyl)-2-propenoic acid #
    • EN300-364980
    • AB01329805-02
    • AE-641/00365055
    • F789512
    • Q27130825
    • Z2942851787
    • 3029-79-6

  • Applications

    3-Methylcinnamic acid is an organic building block used as a starting point in the synthesis of fragrant compounds and aroma chemicals. In perfumery and cosmetics, it commonly serves as a precursor for cinnamic-derived fragrance molecules and is used as a fragrance ingredient. It also functions as an intermediate in the preparation of pharmaceutical agents and other complex organic compounds. Additionally, the compound can be used as a building block for polymer and plastic materials and as a functional co-monomer or additive in coatings, inks, and adhesives (including UV-curable systems). Use is subject to local regulations and formulation limits. Chemical name: 3-Methylcinnamic acid; CAS number: 3029-79-6.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.57
    methanol 172.97
    isopropanol 66.53
    water 1.69
    ethyl acetate 73.42
    n-propanol 101.01
    acetone 140.27
    n-butanol 79.6
    acetonitrile 33.88
    DMF 246.08
    toluene 16.37
    isobutanol 59.17
    1,4-dioxane 62.51
    methyl acetate 80.58
    THF 218.88
    2-butanone 138.44
    n-pentanol 70.91
    sec-butanol 80.27
    n-hexane 3.7
    ethylene glycol 72.25
    NMP 357.39
    cyclohexane 0.77
    DMSO 352.76
    n-butyl acetate 63.88
    n-octanol 26.82
    chloroform 18.77
    n-propyl acetate 58.75
    acetic acid 67.43
    dichloromethane 21.54
    cyclohexanone 93.01
    propylene glycol 89.15
    isopropyl acetate 48.11
    DMAc 312.49
    2-ethoxyethanol 159.18
    isopentanol 74.44
    n-heptane 2.0
    ethyl formate 41.49
    1,2-dichloroethane 37.01
    n-hexanol 76.97
    2-methoxyethanol 215.09
    isobutyl acetate 31.48
    tetrachloromethane 7.27
    n-pentyl acetate 31.36
    transcutol 481.5
    n-heptanol 31.27
    ethylbenzene 18.49
    MIBK 61.04
    2-propoxyethanol 162.23
    tert-butanol 95.21
    MTBE 65.93
    2-butoxyethanol 80.99
    propionic acid 84.55
    o-xylene 19.67
    formic acid 79.29
    diethyl ether 44.93
    m-xylene 20.33
    p-xylene 17.15
    chlorobenzene 19.47
    dimethyl carbonate 57.82
    n-octane 0.68
    formamide 148.17
    cyclopentanone 202.26
    2-pentanone 102.04
    anisole 74.71
    cyclopentyl methyl ether 96.15
    gamma-butyrolactone 207.59
    1-methoxy-2-propanol 172.67
    pyridine 52.77
    3-pentanone 73.64
    furfural 142.29
    n-dodecane 0.48
    diethylene glycol 152.43
    diisopropyl ether 17.37
    tert-amyl alcohol 111.62
    acetylacetone 95.12
    n-hexadecane 0.57
    acetophenone 67.97
    methyl propionate 94.8
    isopentyl acetate 58.36
    trichloroethylene 70.35
    n-nonanol 22.06
    cyclohexanol 39.73
    benzyl alcohol 60.83
    2-ethylhexanol 38.76
    isooctanol 24.37
    dipropyl ether 31.12
    1,2-dichlorobenzene 25.38
    ethyl lactate 49.04
    propylene carbonate 86.48
    n-methylformamide 162.44
    2-pentanol 55.47
    n-pentane 1.7
    1-propoxy-2-propanol 108.0
    1-methoxy-2-propyl acetate 96.0
    2-(2-methoxypropoxy) propanol 97.47
    mesitylene 12.12
    ε-caprolactone 96.39
    p-cymene 13.93
    epichlorohydrin 209.29
    1,1,1-trichloroethane 25.65
    2-aminoethanol 130.54
    morpholine-4-carbaldehyde 205.41
    sulfolane 330.0
    2,2,4-trimethylpentane 2.98
    2-methyltetrahydrofuran 151.09
    n-hexyl acetate 53.8
    isooctane 1.92
    2-(2-butoxyethoxy)ethanol 137.18
    sec-butyl acetate 42.96
    tert-butyl acetate 73.41
    decalin 2.53
    glycerin 132.01
    diglyme 203.68
    acrylic acid 76.6
    isopropyl myristate 17.56
    n-butyric acid 71.77
    acetyl acetate 30.35
    di(2-ethylhexyl) phthalate 25.7
    ethyl propionate 57.8
    nitromethane 143.47
    1,2-diethoxyethane 66.49
    benzonitrile 32.75
    trioctyl phosphate 17.45
    1-bromopropane 14.45
    gamma-valerolactone 193.87
    n-decanol 15.63
    triethyl phosphate 27.98
    4-methyl-2-pentanol 36.99
    propionitrile 37.42
    vinylene carbonate 56.34
    1,1,2-trichlorotrifluoroethane 155.4
    DMS 55.66
    cumene 16.14
    2-octanol 17.71
    2-hexanone 79.37
    octyl acetate 25.13
    limonene 17.53
    1,2-dimethoxyethane 144.1
    ethyl orthosilicate 26.24
    tributyl phosphate 22.14
    diacetone alcohol 134.09
    N,N-dimethylaniline 55.34
    acrylonitrile 49.89
    aniline 47.76
    1,3-propanediol 117.77
    bromobenzene 14.42
    dibromomethane 13.54
    1,1,2,2-tetrachloroethane 60.96
    2-methyl-cyclohexyl acetate 40.77
    tetrabutyl urea 33.91
    diisobutyl methanol 19.74
    2-phenylethanol 62.3
    styrene 17.63
    dioctyl adipate 31.94
    dimethyl sulfate 126.85
    ethyl butyrate 44.03
    methyl lactate 83.25
    butyl lactate 47.22
    diethyl carbonate 30.34
    propanediol butyl ether 100.81
    triethyl orthoformate 33.21
    p-tert-butyltoluene 13.59
    methyl 4-tert-butylbenzoate 61.68
    morpholine 110.04
    tert-butylamine 42.47
    n-dodecanol 10.12
    dimethoxymethane 145.14
    ethylene carbonate 41.84
    cyrene 96.19
    2-ethoxyethyl acetate 58.94
    2-ethylhexyl acetate 43.65
    1,2,4-trichlorobenzene 40.12
    4-methylpyridine 67.62
    dibutyl ether 20.44
    2,6-dimethyl-4-heptanol 19.74
    DEF 111.97
    dimethyl isosorbide 151.99
    tetrachloroethylene 40.71
    eugenol 70.02
    triacetin 56.54
    span 80 65.87
    1,4-butanediol 61.96
    1,1-dichloroethane 22.19
    2-methyl-1-pentanol 68.76
    methyl formate 93.37
    2-methyl-1-butanol 80.0
    n-decane 0.95
    butyronitrile 32.27
    3,7-dimethyl-1-octanol 30.42
    1-chlorooctane 8.2
    1-chlorotetradecane 2.53
    n-nonane 0.86
    undecane 0.66
    tert-butylcyclohexane 3.79
    cyclooctane 0.61
    cyclopentanol 62.4
    tetrahydropyran 45.79
    tert-amyl methyl ether 71.84
    2,5,8-trioxanonane 133.37
    1-hexene 18.14
    2-isopropoxyethanol 109.05
    2,2,2-trifluoroethanol 39.68
    methyl butyrate 68.44

    Scent© AI

1 4

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