alpha-Methylcinnamic acid

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  • Identifiers

    CAS number
    1199-77-5

    Molecular formula
    C10H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 82.3%
    Balsamic 69.14%
    Spicy 56.79%
    Honey 52.87%
    Floral 50.73%
    Fruity 47.67%
    Cinnamon 47.59%
    Powdery 43.26%
    Vanilla 38.21%
    Almond 35.69%

     

    Flavor
    Balsam 44.39%
    Sweet 39.76%
    Honey 35.87%
    Balsamic 29.48%
    Cinnamon 24.49%
    Phenolic 22.81%
    Faint 22.28%
    Powdery 21.7%
    Odorless 21.65%
    Nutty 20.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.28 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 147.95 ˚C est.

  • Synonyms

    • ALPHA-METHYLCINNAMIC ACID
    • 1199-77-5
    • RefChem:555870
    • 214-847-0
    • 1895-97-2
    • 2-methyl-3-phenylacrylic acid
    • 2-Propenoic acid, 2-methyl-3-phenyl-
    • 2-Propenoic acid, 2-methyl-3-phenyl-, (2E)-
    • (E)-2-methyl-3-phenylacrylic acid
    • (2E)-2-methyl-3-phenylprop-2-enoic acid
    • 2-Methyl-3-phenyl-2-propenoic acid
    • MFCD00002652
    • (E)-2-methyl-3-phenylprop-2-enoic acid
    • Cinnamic acid, .alpha.-methyl-
    • .alpha.-Methylcinnamic acid
    • 52D2H37MVU
    • ALPHA-METHYL CINNAMIC ACID
    • a-Methylcinnamic acid
    • (E)-alpha-Methylcinnamic Acid
    • trans-alpha-Methyl-cinnamic acid
    • NSC-401113
    • EINECS 214-847-0
    • (2E)-2-Methyl-3-phenyl-2-propenoic acid
    • |_-Methylcinnamic acid
    • (E)-2-methyl-3-phenyl-prop-2-enoic acid
    • AI3-23408
    • alpha -Methylcinnamic acid
    • UNII-52D2H37MVU
    • SCHEMBL41906
    • alpha-Methylcinnamic acid, 99%
    • CHEMBL3928021
    • XNCRUNXWPDJHGV-BQYQJAHWSA-
    • (E)-2-methyl-3-phenylacrylicacid
    • BDBM220119
    • DTXSID901044462
    • E-2-methyl-3-phenylpropenoic acid
    • ALBB-025649
    • SBB017509
    • STL169372
    • E-alpha-methyl-3-phenylpropenoic acid
    • 2-propenoic acid, 2-methyl-3-phenyl
    • AKOS002272560
    • AKOS025310598
    • BS-3877
    • CS-W001011
    • NSC 401113
    • US9271961, alpha-Mehtylcinnamic acid
    • LS-13763
    • ST078878
    • SY272123
    • NS00045304
    • EN300-1588666
    • 199M775
    • AE-562/42007298
    • F241185
    • Q27454814
    • F0001-0326
    • Z2980228149
    • 4LV
    • InChI=1/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
    • 1199-77-5

  • Applications

    alpha-Methylcinnamic acid, CAS 1199-77-5, is primarily used as a synthetic building block in fragrance and cosmetic applications, serving as a starting material to prepare cinnamate esters and related aromatic compounds; in perfumery it can be employed directly or via transformations to develop base notes and aroma compounds; in cosmetics and personal care, it is used as a fragrance ingredient or as a precursor in formulating scent-containing products; in industrial manufacturing, it functions as an intermediate to synthesize various organic compounds including esters and other cinnamate derivatives; in the polymers/plastics sector, it may be used as a building block or additive for specialty polymers or UV-curable resins; it is also used in research and development for exploring synthesis of more complex aromatic compounds; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 472.09
    methanol 499.62
    isopropanol 338.88
    water 0.94
    ethyl acetate 302.13
    n-propanol 330.41
    acetone 392.87
    n-butanol 272.12
    acetonitrile 215.02
    DMF 958.62
    toluene 92.9
    isobutanol 213.8
    1,4-dioxane 309.44
    methyl acetate 295.86
    THF 391.59
    2-butanone 420.13
    n-pentanol 205.91
    sec-butanol 319.12
    n-hexane 6.31
    ethylene glycol 101.15
    NMP 488.76
    cyclohexane 2.97
    DMSO 546.87
    n-butyl acetate 190.19
    n-octanol 95.22
    chloroform 145.9
    n-propyl acetate 183.36
    acetic acid 160.23
    dichloromethane 208.91
    cyclohexanone 264.58
    propylene glycol 127.53
    isopropyl acetate 163.99
    DMAc 672.46
    2-ethoxyethanol 332.18
    isopentanol 250.16
    n-heptane 5.37
    ethyl formate 149.35
    1,2-dichloroethane 201.74
    n-hexanol 197.9
    2-methoxyethanol 440.82
    isobutyl acetate 94.33
    tetrachloromethane 17.99
    n-pentyl acetate 101.58
    transcutol 802.65
    n-heptanol 107.97
    ethylbenzene 76.23
    MIBK 182.79
    2-propoxyethanol 291.08
    tert-butanol 416.21
    MTBE 275.29
    2-butoxyethanol 184.38
    propionic acid 202.89
    o-xylene 83.41
    formic acid 100.7
    diethyl ether 223.41
    m-xylene 83.5
    p-xylene 70.44
    chlorobenzene 77.42
    dimethyl carbonate 113.22
    n-octane 3.4
    formamide 280.08
    cyclopentanone 411.61
    2-pentanone 352.28
    anisole 196.98
    cyclopentyl methyl ether 201.16
    gamma-butyrolactone 451.05
    1-methoxy-2-propanol 369.88
    pyridine 216.25
    3-pentanone 202.0
    furfural 290.21
    n-dodecane 3.44
    diethylene glycol 206.8
    diisopropyl ether 56.64
    tert-amyl alcohol 373.39
    acetylacetone 226.98
    n-hexadecane 3.88
    acetophenone 161.41
    methyl propionate 290.77
    isopentyl acetate 165.38
    trichloroethylene 346.19
    n-nonanol 79.15
    cyclohexanol 118.69
    benzyl alcohol 155.57
    2-ethylhexanol 111.84
    isooctanol 88.77
    dipropyl ether 91.34
    1,2-dichlorobenzene 76.53
    ethyl lactate 90.16
    propylene carbonate 193.79
    n-methylformamide 437.87
    2-pentanol 219.29
    n-pentane 4.67
    1-propoxy-2-propanol 213.65
    1-methoxy-2-propyl acetate 178.69
    2-(2-methoxypropoxy) propanol 160.18
    mesitylene 45.27
    ε-caprolactone 241.73
    p-cymene 39.28
    epichlorohydrin 508.82
    1,1,1-trichloroethane 105.05
    2-aminoethanol 218.28
    morpholine-4-carbaldehyde 378.24
    sulfolane 439.25
    2,2,4-trimethylpentane 8.31
    2-methyltetrahydrofuran 328.84
    n-hexyl acetate 147.07
    isooctane 6.7
    2-(2-butoxyethoxy)ethanol 250.07
    sec-butyl acetate 131.66
    tert-butyl acetate 178.01
    decalin 7.98
    glycerin 147.55
    diglyme 409.24
    acrylic acid 159.25
    isopropyl myristate 51.4
    n-butyric acid 211.56
    acetyl acetate 92.04
    di(2-ethylhexyl) phthalate 52.05
    ethyl propionate 157.96
    nitromethane 366.73
    1,2-diethoxyethane 195.9
    benzonitrile 117.47
    trioctyl phosphate 41.88
    1-bromopropane 91.65
    gamma-valerolactone 404.14
    n-decanol 59.37
    triethyl phosphate 50.28
    4-methyl-2-pentanol 120.15
    propionitrile 185.69
    vinylene carbonate 148.78
    1,1,2-trichlorotrifluoroethane 244.57
    DMS 100.06
    cumene 53.45
    2-octanol 72.06
    2-hexanone 212.27
    octyl acetate 69.95
    limonene 53.27
    1,2-dimethoxyethane 357.07
    ethyl orthosilicate 49.78
    tributyl phosphate 48.57
    diacetone alcohol 268.96
    N,N-dimethylaniline 132.72
    acrylonitrile 225.91
    aniline 144.48
    1,3-propanediol 247.7
    bromobenzene 68.42
    dibromomethane 113.13
    1,1,2,2-tetrachloroethane 259.14
    2-methyl-cyclohexyl acetate 91.94
    tetrabutyl urea 70.24
    diisobutyl methanol 61.2
    2-phenylethanol 134.11
    styrene 79.1
    dioctyl adipate 71.63
    dimethyl sulfate 170.48
    ethyl butyrate 127.49
    methyl lactate 123.64
    butyl lactate 93.15
    diethyl carbonate 73.11
    propanediol butyl ether 195.05
    triethyl orthoformate 68.61
    p-tert-butyltoluene 37.71
    methyl 4-tert-butylbenzoate 123.98
    morpholine 419.99
    tert-butylamine 207.05
    n-dodecanol 42.14
    dimethoxymethane 400.21
    ethylene carbonate 114.77
    cyrene 150.69
    2-ethoxyethyl acetate 153.06
    2-ethylhexyl acetate 117.09
    1,2,4-trichlorobenzene 100.52
    4-methylpyridine 277.37
    dibutyl ether 77.94
    2,6-dimethyl-4-heptanol 61.2
    DEF 333.2
    dimethyl isosorbide 224.24
    tetrachloroethylene 147.05
    eugenol 137.13
    triacetin 121.91
    span 80 120.72
    1,4-butanediol 123.5
    1,1-dichloroethane 167.78
    2-methyl-1-pentanol 206.49
    methyl formate 246.18
    2-methyl-1-butanol 243.1
    n-decane 5.66
    butyronitrile 175.15
    3,7-dimethyl-1-octanol 93.44
    1-chlorooctane 39.42
    1-chlorotetradecane 13.66
    n-nonane 5.02
    undecane 4.3
    tert-butylcyclohexane 11.21
    cyclooctane 2.01
    cyclopentanol 154.9
    tetrahydropyran 226.06
    tert-amyl methyl ether 216.33
    2,5,8-trioxanonane 252.21
    1-hexene 59.58
    2-isopropoxyethanol 250.59
    2,2,2-trifluoroethanol 72.01
    methyl butyrate 207.19

    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