Cinnamic Acid Cinnamyl Ester

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  • Identifiers

    CAS number
    122-69-0

    Molecular formula
    C18H16O2

    SMILES
    C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2

  • Odor profile

    Fragrance
    Balsamic 92.89%
    Sweet 88.84%
    Spicy 80.54%
    Cinnamon 74.71%
    Fruity 65.16%
    Floral 61.69%
    Honey 48.94%
    Rose 48.37%
    Cocoa 39.07%
    Powdery 37.49%

     

    Flavor
    Balsam 58.76%
    Sweet 49.54%
    Floral 36.92%
    Honey 36.74%
    Cinnamon 34.04%
    Chocolate 31.86%
    Cherry 30.22%
    Balsamic 27.8%
    Strawberry 25.05%
    Rose 23.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.61 (neutral)

    Molecular weight
    264.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Flash point

    • 211.99 ˚C est.

  • Synonyms

    • 122-69-0
    • Cinnamic Acid Cinnamyl Ester
    • 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester
    • 3-phenylprop-2-en-1-yl 3-phenylprop-2-enoate
    • Cinnamyl cinnamate, mixture of isomers
    • DTXSID7047647
    • CBDivE_001756
    • CHEMBL3186867
    • 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester; Cinnamic acid, cinnamyl este
    • AKOS025244100
    • DB-041681
    • 3-Phenylallyl cinnamate; 3-Phenyl-2-propen-1-yl 3-phenyl propenoate

  • Applications

    Cinnamic acid cinnamyl ester is used primarily in fragrance applications as an odorant and a fixative, helping impart and extend balsamic and floral notes. In cosmetics and personal care, it is commonly incorporated as a fragrance ingredient in perfumes, moisturizers, and bath products to provide lasting scent. In household products such as air fresheners and cleaners, it serves as a fragrance additive to deliver characteristic aroma profiles. It can also function as an intermediate in fragrance synthesis and as a precursor for related cinnamate esters used in polymers, coatings, and inks, where fragrance-related functionality may be desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.43
    methanol 34.74
    isopropanol 12.81
    water 0.06
    ethyl acetate 145.09
    n-propanol 22.18
    acetone 166.19
    n-butanol 18.27
    acetonitrile 92.79
    DMF 339.33
    toluene 89.97
    isobutanol 13.01
    1,4-dioxane 163.11
    methyl acetate 142.79
    THF 461.75
    2-butanone 164.52
    n-pentanol 19.5
    sec-butanol 17.58
    n-hexane 2.68
    ethylene glycol 7.6
    NMP 237.32
    cyclohexane 2.67
    DMSO 406.58
    n-butyl acetate 78.14
    n-octanol 7.58
    chloroform 596.18
    n-propyl acetate 86.89
    acetic acid 55.49
    dichloromethane 861.52
    cyclohexanone 174.54
    propylene glycol 14.47
    isopropyl acetate 77.67
    DMAc 462.42
    2-ethoxyethanol 62.04
    isopentanol 18.47
    n-heptane 2.89
    ethyl formate 58.34
    1,2-dichloroethane 642.43
    n-hexanol 18.35
    2-methoxyethanol 82.66
    isobutyl acetate 50.22
    tetrachloromethane 19.66
    n-pentyl acetate 31.94
    transcutol 429.32
    n-heptanol 9.15
    ethylbenzene 41.8
    MIBK 67.47
    2-propoxyethanol 61.96
    tert-butanol 18.39
    MTBE 44.83
    2-butoxyethanol 34.19
    propionic acid 47.39
    o-xylene 40.24
    formic acid 21.84
    diethyl ether 74.46
    m-xylene 36.19
    p-xylene 41.45
    chlorobenzene 150.22
    dimethyl carbonate 110.57
    n-octane 1.16
    formamide 76.74
    cyclopentanone 337.79
    2-pentanone 117.35
    anisole 125.8
    cyclopentyl methyl ether 105.76
    gamma-butyrolactone 387.62
    1-methoxy-2-propanol 65.12
    pyridine 288.53
    3-pentanone 119.6
    furfural 271.96
    n-dodecane 1.13
    diethylene glycol 43.57
    diisopropyl ether 18.47
    tert-amyl alcohol 22.09
    acetylacetone 218.91
    n-hexadecane 1.34
    acetophenone 122.0
    methyl propionate 148.13
    isopentyl acetate 71.91
    trichloroethylene 1006.82
    n-nonanol 8.88
    cyclohexanol 19.11
    benzyl alcohol 58.22
    2-ethylhexanol 17.38
    isooctanol 9.7
    dipropyl ether 49.01
    1,2-dichlorobenzene 147.91
    ethyl lactate 35.6
    propylene carbonate 155.13
    n-methylformamide 106.38
    2-pentanol 13.81
    n-pentane 1.41
    1-propoxy-2-propanol 47.33
    1-methoxy-2-propyl acetate 113.74
    2-(2-methoxypropoxy) propanol 67.49
    mesitylene 19.46
    ε-caprolactone 136.05
    p-cymene 20.08
    epichlorohydrin 650.44
    1,1,1-trichloroethane 220.93
    2-aminoethanol 17.73
    morpholine-4-carbaldehyde 196.89
    sulfolane 429.43
    2,2,4-trimethylpentane 2.66
    2-methyltetrahydrofuran 150.72
    n-hexyl acetate 41.01
    isooctane 1.63
    2-(2-butoxyethoxy)ethanol 80.55
    sec-butyl acetate 62.16
    tert-butyl acetate 84.26
    decalin 5.56
    glycerin 24.52
    diglyme 214.84
    acrylic acid 53.14
    isopropyl myristate 20.64
    n-butyric acid 55.57
    acetyl acetate 100.02
    di(2-ethylhexyl) phthalate 23.51
    ethyl propionate 91.26
    nitromethane 274.77
    1,2-diethoxyethane 123.06
    benzonitrile 82.89
    trioctyl phosphate 12.36
    1-bromopropane 153.05
    gamma-valerolactone 298.35
    n-decanol 7.19
    triethyl phosphate 44.21
    4-methyl-2-pentanol 11.74
    propionitrile 65.79
    vinylene carbonate 137.85
    1,1,2-trichlorotrifluoroethane 213.22
    DMS 92.28
    cumene 23.22
    2-octanol 5.49
    2-hexanone 79.84
    octyl acetate 23.01
    limonene 26.07
    1,2-dimethoxyethane 158.79
    ethyl orthosilicate 40.63
    tributyl phosphate 20.23
    diacetone alcohol 76.97
    N,N-dimethylaniline 66.87
    acrylonitrile 112.72
    aniline 75.29
    1,3-propanediol 21.99
    bromobenzene 179.57
    dibromomethane 388.71
    1,1,2,2-tetrachloroethane 691.68
    2-methyl-cyclohexyl acetate 54.99
    tetrabutyl urea 30.13
    diisobutyl methanol 14.92
    2-phenylethanol 45.71
    styrene 64.51
    dioctyl adipate 43.13
    dimethyl sulfate 196.4
    ethyl butyrate 77.56
    methyl lactate 55.26
    butyl lactate 29.8
    diethyl carbonate 60.26
    propanediol butyl ether 28.32
    triethyl orthoformate 55.17
    p-tert-butyltoluene 18.53
    methyl 4-tert-butylbenzoate 69.6
    morpholine 164.83
    tert-butylamine 11.21
    n-dodecanol 6.08
    dimethoxymethane 215.41
    ethylene carbonate 96.47
    cyrene 67.71
    2-ethoxyethyl acetate 76.32
    2-ethylhexyl acetate 57.28
    1,2,4-trichlorobenzene 180.32
    4-methylpyridine 194.3
    dibutyl ether 30.63
    2,6-dimethyl-4-heptanol 14.92
    DEF 150.78
    dimethyl isosorbide 159.03
    tetrachloroethylene 304.01
    eugenol 60.67
    triacetin 80.42
    span 80 39.2
    1,4-butanediol 11.02
    1,1-dichloroethane 283.23
    2-methyl-1-pentanol 22.88
    methyl formate 88.23
    2-methyl-1-butanol 18.92
    n-decane 1.69
    butyronitrile 49.28
    3,7-dimethyl-1-octanol 13.57
    1-chlorooctane 10.78
    1-chlorotetradecane 5.26
    n-nonane 1.42
    undecane 1.34
    tert-butylcyclohexane 4.9
    cyclooctane 1.16
    cyclopentanol 24.83
    tetrahydropyran 113.32
    tert-amyl methyl ether 44.95
    2,5,8-trioxanonane 143.78
    1-hexene 18.52
    2-isopropoxyethanol 44.02
    2,2,2-trifluoroethanol 26.29
    methyl butyrate 106.8

    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