2-Propenoic acid, 3-phenyl-

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  • Identifiers

    Molecular formula
    C9H8O2

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

  • Odor profile

    Balsamic 81.7%
    Sweet 80.5%
    Cinnamon 61.33%
    Spicy 57.69%
    Honey 55.53%
    Powdery 40.94%
    Almond 33.89%
    Phenolic 32.9%
    Vanilla 31.74%
    Floral 31.51%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    148.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point est.
    151.03 ˚C

  • Synonyms

    • 2-Propenoic acid, 3-phenyl-
    • 3-Phenyl-2-propenoic acid
    • Heparin, lithium salt
    • Cinnamylic acid
    • Kyselina skoricove
    • Acidum cinnamylicum
    • (2Z)-3-phenylprop-2-enoic acid
    • NSC 9189
    • Benzenepropenoic acid
    • Benzylideneacetic acid
    • Cinnamic acid (natural)
    • .beta.-Phenylacrylic acid
    • 3-Phenylacrylic acid; beta-Phenylacrylic acid
    • DTXSID40110056
    • cinnamoic acid
    • EINECS 210-708-3
    • cinnamoyl alcohol
    • NSC 623441
    • BRN 0507757
    • 3-Phenyl-2-propenoic Acid; 3-Phenylacrylic Acid; NSC 623441; NSC 9189; Phenylacrylic Acid; ss-Phenylacrylic Acid
    • AI3-00891
    • Zimtsaeure [German]
    • (E/Z)-cinnamic acid
    • Styrene Carboxylic Acid
    • Kyselina skoricove [Czech]
    • SCHEMBL5814771
    • AAA10294
    • AKOS016890705
    • DB-003617
    • Q57826855

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 190.81
    methanol 253.61
    isopropanol 74.58
    water 0.81
    ethyl acetate 120.28
    n-propanol 117.51
    acetone 236.73
    n-butanol 84.2
    acetonitrile 49.39
    DMF 456.41
    toluene 16.23
    isobutanol 62.77
    1,4-dioxane 107.9
    methyl acetate 123.76
    THF 286.47
    2-butanone 195.76
    n-pentanol 68.38
    sec-butanol 79.65
    n-hexane 0.97
    ethylene glycol 90.34
    NMP 427.89
    cyclohexane 0.4
    DMSO 513.8
    n-butyl acetate 80.74
    n-octanol 30.15
    chloroform 7.64
    n-propyl acetate 78.21
    acetic acid 88.92
    dichloromethane 13.51
    cyclohexanone 110.61
    propylene glycol 95.74
    isopropyl acetate 62.99
    DMAc 438.97
    2-ethoxyethanol 178.21
    isopentanol 79.19
    n-heptane 1.62
    ethyl formate 58.03
    1,2-dichloroethane 29.95
    n-hexanol 72.54
    2-methoxyethanol 307.9
    isobutyl acetate 40.14
    tetrachloromethane 2.82
    n-pentyl acetate 36.24
    transcutol 566.54
    n-heptanol 34.17
    ethylbenzene 17.21
    MIBK 77.54
    2-propoxyethanol 166.02
    tert-butanol 102.25
    MTBE 61.92
    2-butoxyethanol 93.16
    propionic acid 114.06
    o-xylene 20.66
    formic acid 78.23
    diethyl ether 45.62
    m-xylene 20.42
    p-xylene 15.74
    chlorobenzene 15.22
    dimethyl carbonate 77.92
    n-octane 0.63
    formamide 215.47
    cyclopentanone 276.07
    2-pentanone 141.92
    anisole 81.87
    cyclopentyl methyl ether 97.65
    gamma-butyrolactone 331.42
    1-methoxy-2-propanol 206.78
    pyridine 73.95
    3-pentanone 87.23
    furfural 189.75
    n-dodecane 0.76
    diethylene glycol 152.37
    diisopropyl ether 16.33
    tert-amyl alcohol 107.38
    acetylacetone 151.98
    n-hexadecane 0.87
    acetophenone 81.14
    methyl propionate 150.27
    isopentyl acetate 72.06
    trichloroethylene 53.74
    n-nonanol 26.33
    cyclohexanol 39.36
    benzyl alcohol 66.64
    2-ethylhexanol 42.75
    isooctanol 27.67
    dipropyl ether 35.48
    1,2-dichlorobenzene 21.23
    ethyl lactate 55.19
    propylene carbonate 121.44
    n-methylformamide 265.39
    2-pentanol 56.18
    n-pentane 0.64
    1-propoxy-2-propanol 112.42
    1-methoxy-2-propyl acetate 107.18
    2-(2-methoxypropoxy) propanol 105.32
    mesitylene 11.96
    ε-caprolactone 124.91
    p-cymene 14.52
    epichlorohydrin 257.62
    1,1,1-trichloroethane 15.88
    2-aminoethanol 158.65
    morpholine-4-carbaldehyde 265.58
    sulfolane 428.13
    2,2,4-trimethylpentane 1.86
    2-methyltetrahydrofuran 173.22
    n-hexyl acetate 59.79
    isooctane 1.47
    2-(2-butoxyethoxy)ethanol 154.93
    sec-butyl acetate 52.89
    tert-butyl acetate 81.25
    decalin 2.09
    glycerin 140.31
    diglyme 258.19
    acrylic acid 98.24
    isopropyl myristate 23.03
    n-butyric acid 97.49
    acetyl acetate 45.88
    di(2-ethylhexyl) phthalate 27.99
    ethyl propionate 76.71
    nitromethane 239.47
    1,2-diethoxyethane 88.26
    benzonitrile 43.71
    trioctyl phosphate 21.41
    1-bromopropane 8.73
    gamma-valerolactone 269.58
    n-decanol 19.63
    triethyl phosphate 31.82
    4-methyl-2-pentanol 37.29
    propionitrile 49.06
    vinylene carbonate 78.53
    1,1,2-trichlorotrifluoroethane 170.58
    DMS 69.8
    cumene 14.98
    2-octanol 19.5
    2-hexanone 87.52
    octyl acetate 31.73
    limonene 19.1
    1,2-dimethoxyethane 184.8
    ethyl orthosilicate 29.46
    tributyl phosphate 25.62
    diacetone alcohol 166.12
    N,N-dimethylaniline 57.91
    acrylonitrile 73.42
    aniline 45.83
    1,3-propanediol 143.56
    bromobenzene 10.74
    dibromomethane 6.83
    1,1,2,2-tetrachloroethane 43.3
    2-methyl-cyclohexyl acetate 48.05
    tetrabutyl urea 40.42
    diisobutyl methanol 23.87
    2-phenylethanol 60.22
    styrene 16.55
    dioctyl adipate 42.59
    dimethyl sulfate 154.39
    ethyl butyrate 59.11
    methyl lactate 96.56
    butyl lactate 49.25
    diethyl carbonate 40.58
    propanediol butyl ether 105.13
    triethyl orthoformate 37.76
    p-tert-butyltoluene 14.19
    methyl 4-tert-butylbenzoate 68.66
    morpholine 169.74
    tert-butylamine 41.45
    n-dodecanol 13.81
    dimethoxymethane 213.16
    ethylene carbonate 61.59
    cyrene 99.41
    2-ethoxyethyl acetate 70.35
    2-ethylhexyl acetate 51.54
    1,2,4-trichlorobenzene 33.55
    4-methylpyridine 81.41
    dibutyl ether 25.42
    2,6-dimethyl-4-heptanol 23.87
    DEF 154.39
    dimethyl isosorbide 164.77
    tetrachloroethylene 27.56
    eugenol 74.02
    triacetin 72.69
    span 80 71.48
    1,4-butanediol 62.8
    1,1-dichloroethane 14.32
    2-methyl-1-pentanol 71.77
    methyl formate 146.51
    2-methyl-1-butanol 83.54
    n-decane 1.17
    butyronitrile 43.51
    3,7-dimethyl-1-octanol 33.37
    1-chlorooctane 8.53
    1-chlorotetradecane 3.55
    n-nonane 0.96
    undecane 0.94
    tert-butylcyclohexane 2.91
    cyclooctane 0.32
    cyclopentanol 67.1
    tetrahydropyran 58.38
    tert-amyl methyl ether 64.83
    2,5,8-trioxanonane 168.97
    1-hexene 8.71
    2-isopropoxyethanol 118.79
    2,2,2-trifluoroethanol 42.15
    methyl butyrate 99.01

    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