Guaiacol cinnamate

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  • Identifiers

    CAS number
    531-40-8

    Molecular formula
    C16H14O3

    SMILES
    COC1=CC=CC=C1OC(=O)/C=C/C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 80.61%
    Spicy 71.57%
    Sweet 65.73%
    Cinnamon 49.74%
    Vanilla 43.97%
    Honey 42.73%
    Powdery 41.13%
    Floral 39.55%
    Warm 38.9%
    Clove 38.19%

     

    Flavor
    Sweet 61.93%
    Balsam 57.7%
    Floral 46.03%
    Honey 36.04%
    Balsamic 33.57%
    Powdery 32.12%
    Faint 28.98%
    Cinnamon 28.11%
    Chocolate 27.75%
    Cherry 26.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.79 (neutral)

    Molecular weight
    254.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Flash point

    • 165.89 ˚C est.

  • Synonyms

    • Guaiacol cinnamate
    • 2-Methoxyphenyl cinnamate
    • 531-40-8
    • 2-Methoxyphenyl 3-phenylacrylate
    • NSC700129
    • (2-methoxyphenyl) (E)-3-phenylprop-2-enoate
    • 8G261E69SI
    • UNII-8G261E69SI
    • EINECS 208-508-6
    • 2-Propenoic acid, 3-phenyl-, 2-methoxyphenyl ester
    • 2-methoxyphenyl (2E)-3-phenylprop-2-enoate
    • SCHEMBL9065919
    • CHEMBL1971991
    • SYKAZDSPTNFPJX-VAWYXSNFSA-N
    • GUAIACOL CINNAMATE [WHO-DD]
    • AKOS002256459
    • NSC-700129
    • NS00042540
    • ST45059833
    • SR-01000196384
    • SR-01000196384-1
    • Q27270365
    • 531-40-8

  • Applications

    Guaiacol cinnamate (CAS 531-40-8) is primarily used as a fragrance ingredient and aroma compound in perfumery and cosmetics, offering a warm, resinous note and acting as a scent modifier or fixative in formulations. It is also evaluated for use in household products such as detergents and cleaners to impart a distinctive aroma. In coatings and inks, it may be employed as an odorant additive to enhance scent profiles. It can serve as an intermediate in organic synthesis, enabling access to guaiacol- or cinnamate-derived derivatives for fragrance or specialty chemical applications. In polymers and plastics, it may be explored as a minor additive or processing aid where odor considerations are relevant, within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.48
    methanol 86.18
    isopropanol 28.91
    water 0.06
    ethyl acetate 434.69
    n-propanol 46.67
    acetone 342.31
    n-butanol 36.63
    acetonitrile 333.56
    DMF 287.38
    toluene 202.51
    isobutanol 26.62
    1,4-dioxane 330.93
    methyl acetate 375.91
    THF 737.74
    2-butanone 300.75
    n-pentanol 33.54
    sec-butanol 37.49
    n-hexane 6.23
    ethylene glycol 17.42
    NMP 204.68
    cyclohexane 18.21
    DMSO 523.03
    n-butyl acetate 133.99
    n-octanol 18.28
    chloroform 1074.01
    n-propyl acetate 157.83
    acetic acid 134.21
    dichloromethane 1796.94
    cyclohexanone 310.79
    propylene glycol 19.61
    isopropyl acetate 158.31
    DMAc 397.85
    2-ethoxyethanol 107.02
    isopentanol 35.68
    n-heptane 8.8
    ethyl formate 128.16
    1,2-dichloroethane 1221.61
    n-hexanol 33.37
    2-methoxyethanol 169.68
    isobutyl acetate 86.12
    tetrachloromethane 47.1
    n-pentyl acetate 61.65
    transcutol 475.31
    n-heptanol 18.87
    ethylbenzene 68.93
    MIBK 110.46
    2-propoxyethanol 99.01
    tert-butanol 56.45
    MTBE 98.77
    2-butoxyethanol 54.32
    propionic acid 94.36
    o-xylene 72.36
    formic acid 40.64
    diethyl ether 210.48
    m-xylene 73.58
    p-xylene 76.76
    chlorobenzene 255.98
    dimethyl carbonate 188.62
    n-octane 4.46
    formamide 166.57
    cyclopentanone 502.39
    2-pentanone 209.85
    anisole 178.64
    cyclopentyl methyl ether 198.29
    gamma-butyrolactone 596.51
    1-methoxy-2-propanol 108.19
    pyridine 502.53
    3-pentanone 225.67
    furfural 391.22
    n-dodecane 4.32
    diethylene glycol 76.83
    diisopropyl ether 41.92
    tert-amyl alcohol 52.85
    acetylacetone 349.99
    n-hexadecane 5.08
    acetophenone 163.58
    methyl propionate 314.62
    isopentyl acetate 117.16
    trichloroethylene 1681.23
    n-nonanol 20.27
    cyclohexanol 51.27
    benzyl alcohol 85.98
    2-ethylhexanol 31.65
    isooctanol 19.23
    dipropyl ether 76.29
    1,2-dichlorobenzene 212.78
    ethyl lactate 53.0
    propylene carbonate 233.47
    n-methylformamide 157.82
    2-pentanol 29.04
    n-pentane 4.84
    1-propoxy-2-propanol 68.17
    1-methoxy-2-propyl acetate 159.12
    2-(2-methoxypropoxy) propanol 88.6
    mesitylene 38.79
    ε-caprolactone 236.71
    p-cymene 34.72
    epichlorohydrin 996.44
    1,1,1-trichloroethane 467.13
    2-aminoethanol 32.67
    morpholine-4-carbaldehyde 249.39
    sulfolane 563.62
    2,2,4-trimethylpentane 5.43
    2-methyltetrahydrofuran 283.78
    n-hexyl acetate 79.04
    isooctane 3.85
    2-(2-butoxyethoxy)ethanol 106.84
    sec-butyl acetate 108.92
    tert-butyl acetate 150.12
    decalin 12.42
    glycerin 36.51
    diglyme 292.16
    acrylic acid 101.38
    isopropyl myristate 39.77
    n-butyric acid 108.14
    acetyl acetate 253.29
    di(2-ethylhexyl) phthalate 36.67
    ethyl propionate 159.61
    nitromethane 557.87
    1,2-diethoxyethane 177.25
    benzonitrile 141.58
    trioctyl phosphate 22.38
    1-bromopropane 322.67
    gamma-valerolactone 396.38
    n-decanol 16.94
    triethyl phosphate 65.45
    4-methyl-2-pentanol 21.29
    propionitrile 184.59
    vinylene carbonate 213.34
    1,1,2-trichlorotrifluoroethane 274.88
    DMS 154.92
    cumene 37.27
    2-octanol 13.92
    2-hexanone 118.84
    octyl acetate 45.4
    limonene 45.31
    1,2-dimethoxyethane 259.18
    ethyl orthosilicate 58.06
    tributyl phosphate 34.91
    diacetone alcohol 125.25
    N,N-dimethylaniline 87.33
    acrylonitrile 297.93
    aniline 131.04
    1,3-propanediol 47.45
    bromobenzene 317.72
    dibromomethane 888.94
    1,1,2,2-tetrachloroethane 1007.59
    2-methyl-cyclohexyl acetate 82.67
    tetrabutyl urea 47.57
    diisobutyl methanol 26.46
    2-phenylethanol 74.52
    styrene 107.16
    dioctyl adipate 71.84
    dimethyl sulfate 272.55
    ethyl butyrate 125.5
    methyl lactate 80.84
    butyl lactate 42.97
    diethyl carbonate 101.27
    propanediol butyl ether 38.02
    triethyl orthoformate 80.58
    p-tert-butyltoluene 32.28
    methyl 4-tert-butylbenzoate 97.11
    morpholine 320.24
    tert-butylamine 29.65
    n-dodecanol 14.96
    dimethoxymethane 344.54
    ethylene carbonate 163.8
    cyrene 91.92
    2-ethoxyethyl acetate 124.68
    2-ethylhexyl acetate 93.46
    1,2,4-trichlorobenzene 251.03
    4-methylpyridine 297.68
    dibutyl ether 58.7
    2,6-dimethyl-4-heptanol 26.46
    DEF 221.6
    dimethyl isosorbide 199.69
    tetrachloroethylene 496.41
    eugenol 84.94
    triacetin 123.69
    span 80 51.9
    1,4-butanediol 18.9
    1,1-dichloroethane 603.73
    2-methyl-1-pentanol 39.6
    methyl formate 159.02
    2-methyl-1-butanol 34.47
    n-decane 6.15
    butyronitrile 120.1
    3,7-dimethyl-1-octanol 27.82
    1-chlorooctane 27.12
    1-chlorotetradecane 13.73
    n-nonane 5.4
    undecane 5.02
    tert-butylcyclohexane 9.72
    cyclooctane 6.55
    cyclopentanol 58.27
    tetrahydropyran 275.38
    tert-amyl methyl ether 83.28
    2,5,8-trioxanonane 201.63
    1-hexene 32.03
    2-isopropoxyethanol 73.73
    2,2,2-trifluoroethanol 57.33
    methyl butyrate 176.65

    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