2-Propenenitrile, 2-methyl-3-phenyl-

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  • Identifiers

    CAS number
    1197-33-7

    Molecular formula
    C10H9N

    SMILES
    C/C(=C/C1=CC=CC=C1)/C#N

  • Odor profile

    Fragrance
    Spicy 71.77%
    Sweet 40.19%
    Cinnamon 38.92%
    Floral 36.15%
    Herbal 33.26%
    Warm 29.31%
    Bitter 28.05%
    Balsamic 25.33%
    Anisic 22.6%
    Citrus 21.63%

     

    Flavor
    Bitter 37.61%
    Nitrile 21.93%
    Oriental 20.29%
    Styrene 18.68%
    Basil 18.52%
    Broom 18.23%
    Heather 18.0%
    Genet 17.89%
    Almond shell 17.68%
    Lovage 17.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.42 (neutral)

    Molecular weight
    143.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 115.15 ˚C est.

  • Synonyms

    • 2-Propenenitrile, 2-methyl-3-phenyl-
    • 1197-33-7
    • (Z)-2-methyl-3-phenylprop-2-enenitrile
    • 2-Methyl-3-phenyl-2-propenenitrile
    • EINECS 214-822-4
    • NSC 149652
    • NS00012862
    • DTXSID1061607
    • NSC149652
    • SCHEMBL679854
    • DTXCID8033516
    • MSOYJTDJKBEDPF-CLFYSBASSA-N
    • NSC-149652
    • DB-248208

  • Applications

    2-Propenenitrile, 2-methyl-3-phenyl- (CAS number: 1197-33-7) is used as a monomer in polymer synthesis for specialty copolymers and high-performance plastics, enabling properties such as stiffness, strength, and thermal resistance. It is also employed as a resin component in coatings and inks, including UV-curable systems, to enhance adhesion and performance. Additionally, the compound can function in adhesives and sealants as a functional resin for durable, weather-resistant bonds. In electronics and optical materials, it may be incorporated into polymer formulations for insulating and optically active polymers. Finally, it is often evaluated as an organic-synthesis intermediate for the preparation of dyes and pharmaceutical or agrochemical precursors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 631.49
    methanol 649.4
    isopropanol 451.62
    water 2.52
    ethyl acetate 2237.1
    n-propanol 502.04
    acetone 4796.69
    n-butanol 383.95
    acetonitrile 3154.03
    DMF 4501.94
    toluene 1070.36
    isobutanol 340.57
    1,4-dioxane 2343.19
    methyl acetate 2430.78
    THF 2768.28
    2-butanone 2753.49
    n-pentanol 269.28
    sec-butanol 364.26
    n-hexane 90.21
    ethylene glycol 235.1
    NMP 3040.24
    cyclohexane 173.6
    DMSO 4613.44
    n-butyl acetate 1228.71
    n-octanol 274.41
    chloroform 4006.71
    n-propyl acetate 1092.31
    acetic acid 1071.08
    dichloromethane 5016.46
    cyclohexanone 3030.1
    propylene glycol 220.21
    isopropyl acetate 891.01
    DMAc 2399.45
    2-ethoxyethanol 495.14
    isopentanol 285.15
    n-heptane 99.37
    ethyl formate 1495.75
    1,2-dichloroethane 3172.37
    n-hexanol 369.01
    2-methoxyethanol 953.4
    isobutyl acetate 491.08
    tetrachloromethane 547.63
    n-pentyl acetate 536.43
    transcutol 2272.77
    n-heptanol 193.81
    ethylbenzene 412.7
    MIBK 676.36
    2-propoxyethanol 600.54
    tert-butanol 439.8
    MTBE 560.41
    2-butoxyethanol 354.66
    propionic acid 1011.7
    o-xylene 405.41
    formic acid 339.78
    diethyl ether 1098.19
    m-xylene 485.61
    p-xylene 510.55
    chlorobenzene 1492.97
    dimethyl carbonate 1155.53
    n-octane 41.2
    formamide 1009.72
    cyclopentanone 4170.35
    2-pentanone 1883.35
    anisole 930.71
    cyclopentyl methyl ether 1168.32
    gamma-butyrolactone 4404.28
    1-methoxy-2-propanol 667.43
    pyridine 2862.88
    3-pentanone 1711.58
    furfural 2625.81
    n-dodecane 31.47
    diethylene glycol 449.7
    diisopropyl ether 256.92
    tert-amyl alcohol 330.08
    acetylacetone 2316.2
    n-hexadecane 37.66
    acetophenone 938.73
    methyl propionate 1922.24
    isopentyl acetate 726.28
    trichloroethylene 5611.8
    n-nonanol 215.02
    cyclohexanol 451.06
    benzyl alcohol 487.88
    2-ethylhexanol 253.33
    isooctanol 155.54
    dipropyl ether 616.09
    1,2-dichlorobenzene 1154.69
    ethyl lactate 331.56
    propylene carbonate 1933.45
    n-methylformamide 2373.86
    2-pentanol 281.05
    n-pentane 72.31
    1-propoxy-2-propanol 489.62
    1-methoxy-2-propyl acetate 773.94
    2-(2-methoxypropoxy) propanol 358.13
    mesitylene 255.93
    ε-caprolactone 2060.58
    p-cymene 203.34
    epichlorohydrin 3471.15
    1,1,1-trichloroethane 2457.51
    2-aminoethanol 311.54
    morpholine-4-carbaldehyde 2220.38
    sulfolane 3826.5
    2,2,4-trimethylpentane 31.23
    2-methyltetrahydrofuran 1847.05
    n-hexyl acetate 809.06
    isooctane 27.0
    2-(2-butoxyethoxy)ethanol 525.18
    sec-butyl acetate 549.7
    tert-butyl acetate 719.53
    decalin 77.17
    glycerin 297.18
    diglyme 1399.64
    acrylic acid 1082.12
    isopropyl myristate 266.85
    n-butyric acid 1015.63
    acetyl acetate 1308.06
    di(2-ethylhexyl) phthalate 190.5
    ethyl propionate 969.1
    nitromethane 4303.44
    1,2-diethoxyethane 967.39
    benzonitrile 1215.01
    trioctyl phosphate 154.09
    1-bromopropane 1183.25
    gamma-valerolactone 3305.64
    n-decanol 155.11
    triethyl phosphate 250.83
    4-methyl-2-pentanol 139.07
    propionitrile 1521.29
    vinylene carbonate 1842.47
    1,1,2-trichlorotrifluoroethane 1568.25
    DMS 934.31
    cumene 212.42
    2-octanol 150.66
    2-hexanone 1090.13
    octyl acetate 344.36
    limonene 299.67
    1,2-dimethoxyethane 1345.68
    ethyl orthosilicate 226.63
    tributyl phosphate 215.66
    diacetone alcohol 623.94
    N,N-dimethylaniline 464.47
    acrylonitrile 2174.5
    aniline 826.46
    1,3-propanediol 391.62
    bromobenzene 1765.81
    dibromomethane 2855.6
    1,1,2,2-tetrachloroethane 3373.88
    2-methyl-cyclohexyl acetate 397.69
    tetrabutyl urea 308.61
    diisobutyl methanol 153.44
    2-phenylethanol 428.09
    styrene 628.98
    dioctyl adipate 366.68
    dimethyl sulfate 1560.69
    ethyl butyrate 819.36
    methyl lactate 552.55
    butyl lactate 343.95
    diethyl carbonate 527.32
    propanediol butyl ether 387.6
    triethyl orthoformate 402.94
    p-tert-butyltoluene 180.66
    methyl 4-tert-butylbenzoate 451.34
    morpholine 2131.85
    tert-butylamine 251.26
    n-dodecanol 117.93
    dimethoxymethane 1854.58
    ethylene carbonate 1517.29
    cyrene 397.23
    2-ethoxyethyl acetate 801.35
    2-ethylhexyl acetate 589.76
    1,2,4-trichlorobenzene 1241.25
    4-methylpyridine 2337.21
    dibutyl ether 545.77
    2,6-dimethyl-4-heptanol 153.44
    DEF 1899.75
    dimethyl isosorbide 731.6
    tetrachloroethylene 2034.29
    eugenol 421.56
    triacetin 793.22
    span 80 291.52
    1,4-butanediol 173.62
    1,1-dichloroethane 2751.05
    2-methyl-1-pentanol 218.21
    methyl formate 2199.64
    2-methyl-1-butanol 285.25
    n-decane 56.67
    butyronitrile 1161.49
    3,7-dimethyl-1-octanol 214.82
    1-chlorooctane 270.77
    1-chlorotetradecane 93.8
    n-nonane 61.61
    undecane 40.64
    tert-butylcyclohexane 64.14
    cyclooctane 60.53
    cyclopentanol 610.93
    tetrahydropyran 1977.76
    tert-amyl methyl ether 370.14
    2,5,8-trioxanonane 714.46
    1-hexene 319.72
    2-isopropoxyethanol 334.37
    2,2,2-trifluoroethanol 480.62
    methyl butyrate 1352.57

    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