2-Butenoic acid, 3-phenyl-

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  • Identifiers

    CAS number
    1199-20-8

    Molecular formula
    C10H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 75.94%
    Balsamic 64.98%
    Floral 58.56%
    Honey 55.43%
    Spicy 53.36%
    Powdery 43.02%
    Cinnamon 42.9%
    Phenolic 39.22%
    Herbal 38.89%
    Woody 32.22%

     

    Flavor
    Sweet 56.44%
    Balsam 46.04%
    Honey 43.03%
    Balsamic 31.32%
    Phenolic 30.74%
    Cinnamon 30.49%
    Nutty 28.83%
    Woody 23.57%
    Dry 23.3%
    Spice 22.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.82 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 150.85 ˚C est.

  • Synonyms

    • 1199-20-8
    • 2-Butenoic acid, 3-phenyl-
    • 3-Phenylcrotonic acid
    • NSC 16625
    • DTXSID0061614
    • RefChem:85995
    • DTXCID7033525
    • PEXWJYDPDXUVSV-BQYQJAHWSA-N
    • 3-phenylbut-2-enoic acid
    • (E)-3-phenylbut-2-enoic acid
    • MFCD00053500
    • 3-phenyl-2-butenoic acid
    • 2-Butenoic acid, 3-phenyl-, (E)-
    • 704-80-3
    • beta-Methylcinnamic acid
    • Crotonic acid, 3-phenyl-
    • Cinnamic acid, .beta.-methyl-
    • (2E)-3-phenylbut-2-enoic acid
    • .beta.-Methylcinnamic acid
    • (2E)-3-Phenyl-2-butenoic acid
    • Cinnamic acid, beta-methyl-
    • SCHEMBL691911
    • (E)-3-phenylbut-2-enoicacid
    • CHEMBL1771756
    • (E)-3-phenyl-but-2-enoic acid
    • E-3-methyl-3-phenylpropenoic acid
    • BAA19920
    • (2E)-3-Phenyl-2-butenoic acid #
    • SBB052737
    • AKOS005265743
    • BS-13656
    • BS-48870
    • SY173721
    • CS-0188036
    • CS-0369476
    • EN300-50863
    • E75774
    • 199P208
    • AE-641/00378058
    • Z352748396
    • 1199-20-8

  • Applications

    2-Butenoic acid, 3-phenyl- (CAS 1199-20-8) is widely used as an intermediate in fragrance and flavor chemistry, serving as a precursor for cinnamaldehyde and related aroma compounds used in perfumery and flavor applications; it is also employed in cosmetics and personal care as an aroma ingredient and in household products where fragrance is desired; in industrial manufacturing it acts as a building block for specialty polymers and UV-curable coatings; in coatings and inks formulations it can function as a reactive monomer; and it may be used to prepare pharmaceutical or agrochemical intermediates, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 350.26
    methanol 516.31
    isopropanol 113.7
    water 0.86
    ethyl acetate 239.93
    n-propanol 266.06
    acetone 484.82
    n-butanol 172.1
    acetonitrile 174.2
    DMF 751.79
    toluene 53.91
    isobutanol 126.79
    1,4-dioxane 360.79
    methyl acetate 233.52
    THF 904.52
    2-butanone 377.08
    n-pentanol 130.46
    sec-butanol 137.07
    n-hexane 4.97
    ethylene glycol 104.02
    NMP 913.87
    cyclohexane 1.71
    DMSO 1141.3
    n-butyl acetate 124.33
    n-octanol 52.69
    chloroform 58.91
    n-propyl acetate 113.07
    acetic acid 133.6
    dichloromethane 89.44
    cyclohexanone 346.76
    propylene glycol 104.38
    isopropyl acetate 107.52
    DMAc 454.56
    2-ethoxyethanol 241.12
    isopentanol 129.43
    n-heptane 3.57
    ethyl formate 101.49
    1,2-dichloroethane 156.71
    n-hexanol 145.33
    2-methoxyethanol 430.95
    isobutyl acetate 57.36
    tetrachloromethane 12.24
    n-pentyl acetate 60.61
    transcutol 649.16
    n-heptanol 63.19
    ethylbenzene 36.03
    MIBK 133.93
    2-propoxyethanol 275.89
    tert-butanol 155.32
    MTBE 117.08
    2-butoxyethanol 134.34
    propionic acid 184.35
    o-xylene 40.68
    formic acid 101.57
    diethyl ether 162.2
    m-xylene 48.03
    p-xylene 33.17
    chlorobenzene 57.87
    dimethyl carbonate 122.56
    n-octane 1.4
    formamide 290.14
    cyclopentanone 741.19
    2-pentanone 305.8
    anisole 129.48
    cyclopentyl methyl ether 337.39
    gamma-butyrolactone 769.67
    1-methoxy-2-propanol 322.71
    pyridine 196.31
    3-pentanone 206.51
    furfural 288.84
    n-dodecane 1.35
    diethylene glycol 206.56
    diisopropyl ether 34.46
    tert-amyl alcohol 151.75
    acetylacetone 236.6
    n-hexadecane 1.6
    acetophenone 104.72
    methyl propionate 313.2
    isopentyl acetate 104.25
    trichloroethylene 231.08
    n-nonanol 45.07
    cyclohexanol 105.23
    benzyl alcohol 94.64
    2-ethylhexanol 65.99
    isooctanol 45.92
    dipropyl ether 72.21
    1,2-dichlorobenzene 55.08
    ethyl lactate 64.92
    propylene carbonate 200.06
    n-methylformamide 509.26
    2-pentanol 104.01
    n-pentane 2.59
    1-propoxy-2-propanol 163.09
    1-methoxy-2-propyl acetate 148.34
    2-(2-methoxypropoxy) propanol 121.7
    mesitylene 23.76
    ε-caprolactone 273.69
    p-cymene 22.52
    epichlorohydrin 729.37
    1,1,1-trichloroethane 68.76
    2-aminoethanol 210.64
    morpholine-4-carbaldehyde 460.5
    sulfolane 971.02
    2,2,4-trimethylpentane 3.5
    2-methyltetrahydrofuran 574.48
    n-hexyl acetate 104.19
    isooctane 3.09
    2-(2-butoxyethoxy)ethanol 181.81
    sec-butyl acetate 71.04
    tert-butyl acetate 128.72
    decalin 4.85
    glycerin 156.3
    diglyme 306.93
    acrylic acid 143.66
    isopropyl myristate 34.26
    n-butyric acid 167.06
    acetyl acetate 70.24
    di(2-ethylhexyl) phthalate 38.53
    ethyl propionate 119.86
    nitromethane 408.23
    1,2-diethoxyethane 124.22
    benzonitrile 78.94
    trioctyl phosphate 31.56
    1-bromopropane 54.58
    gamma-valerolactone 597.66
    n-decanol 32.44
    triethyl phosphate 43.5
    4-methyl-2-pentanol 57.83
    propionitrile 149.97
    vinylene carbonate 134.51
    1,1,2-trichlorotrifluoroethane 251.21
    DMS 98.3
    cumene 25.88
    2-octanol 37.05
    2-hexanone 156.22
    octyl acetate 49.12
    limonene 32.32
    1,2-dimethoxyethane 294.48
    ethyl orthosilicate 39.55
    tributyl phosphate 37.02
    diacetone alcohol 214.52
    N,N-dimethylaniline 78.2
    acrylonitrile 184.23
    aniline 115.45
    1,3-propanediol 202.15
    bromobenzene 43.17
    dibromomethane 52.53
    1,1,2,2-tetrachloroethane 165.48
    2-methyl-cyclohexyl acetate 68.11
    tetrabutyl urea 53.13
    diisobutyl methanol 33.64
    2-phenylethanol 97.42
    styrene 36.71
    dioctyl adipate 54.22
    dimethyl sulfate 232.92
    ethyl butyrate 81.38
    methyl lactate 132.0
    butyl lactate 64.22
    diethyl carbonate 52.02
    propanediol butyl ether 132.04
    triethyl orthoformate 51.89
    p-tert-butyltoluene 22.57
    methyl 4-tert-butylbenzoate 91.91
    morpholine 570.3
    tert-butylamine 72.16
    n-dodecanol 22.0
    dimethoxymethane 420.48
    ethylene carbonate 108.82
    cyrene 131.18
    2-ethoxyethyl acetate 101.54
    2-ethylhexyl acetate 76.15
    1,2,4-trichlorobenzene 77.74
    4-methylpyridine 214.41
    dibutyl ether 46.51
    2,6-dimethyl-4-heptanol 33.64
    DEF 293.36
    dimethyl isosorbide 212.09
    tetrachloroethylene 97.88
    eugenol 98.33
    triacetin 85.68
    span 80 91.77
    1,4-butanediol 77.58
    1,1-dichloroethane 82.59
    2-methyl-1-pentanol 104.9
    methyl formate 270.88
    2-methyl-1-butanol 136.37
    n-decane 2.32
    butyronitrile 119.11
    3,7-dimethyl-1-octanol 50.79
    1-chlorooctane 20.7
    1-chlorotetradecane 6.73
    n-nonane 2.13
    undecane 1.75
    tert-butylcyclohexane 6.18
    cyclooctane 1.11
    cyclopentanol 184.54
    tetrahydropyran 297.74
    tert-amyl methyl ether 108.23
    2,5,8-trioxanonane 193.11
    1-hexene 36.53
    2-isopropoxyethanol 144.68
    2,2,2-trifluoroethanol 59.02
    methyl butyrate 144.45

    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