Cinnamyl benzoate

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  • Identifiers

    CAS number
    5320-75-2

    Molecular formula
    C16H14O2

    SMILES
    C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2

  • Odor profile

    Balsamic 91.31%
    Sweet 79.75%
    Spicy 70.24%
    Fruity 68.95%
    Floral 63.19%
    Cinnamon 61.17%
    Herbal 48.92%
    Rose 43.83%
    Honey 39.32%
    Cherry 34.74%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    238.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Melting point expt.

    • 38.5 °C

    Flash point est.
    179.2 ˚C

    Solubility expt.

    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • Cinnamyl benzoate
    • (E)-cinnamyl benzoate
    • 5320-75-2
    • 50555-04-9
    • Cinnamyl alcohol, benzoate
    • Benzoic acid, cinnamyl ester
    • trans-Cinnamyl benzoate
    • [(E)-3-phenylprop-2-enyl] benzoate
    • CINNAMYLBENZOATE
    • 2-Propen-1-ol, 3-phenyl-, benzoate
    • 3-Phenyl-2-propen-1-yl benzoate
    • EINECS 226-180-2
    • YD42CSO4W9
    • 3-Phenyl-2-propenyl Benzoate
    • NSC 245146
    • BRN 2109179
    • 2-Propen-1-ol, 3-phenyl-, 1-benzoate, (2E)-
    • AI3-36053
    • Cinnamyl benzoate [FIFH]
    • UNII-YD42CSO4W9
    • NSC-245146
    • (E)-3-phenylallyl benzoate
    • (2E)-3-phenylprop-2-en-1-yl benzoate
    • 2-Propen-1-ol, 3-phenyl-, 1-benzoate
    • CINNAMYL BENZOATE [FHFI]
    • FEMA NO. 4703
    • 2-09-00-00103 (Beilstein Handbook Reference)
    • Cinnamyl benzoate (FIFH)
    • 2-Propen-1-ol, 3-phenyl-, benzoate, (2E)-
    • ((E)-3-phenylprop-2-enyl) benzoate
    • MFCD00475021
    • Cinnamyl benzoic acid
    • (e)-Cinnamyl benzoic acid
    • 2-Propen-1-ol, benzoate
    • WLN: RVO2U1R
    • trans-Cinnamyl benzoic acid
    • SCHEMBL382617
    • CHEMBL1095237
    • CHEBI:174231
    • Cinnamyl benzoate, >=98%, FG
    • DTXSID501262614
    • NSC245146
    • AKOS004905721
    • (2E)-3-Phenylprop-2-en-1-yl benzoic acid
    • C3650
    • NS00012094
    • Q27294470
    • Z2583146334
    • 226-180-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 100.75
    methanol 105.0
    isopropanol 61.76
    water 0.18
    ethyl acetate 404.87
    n-propanol 88.72
    acetone 487.78
    n-butanol 86.89
    acetonitrile 344.45
    DMF 794.91
    toluene 271.54
    isobutanol 67.52
    1,4-dioxane 421.98
    methyl acetate 383.25
    THF 722.83
    2-butanone 477.88
    n-pentanol 77.57
    sec-butanol 82.62
    n-hexane 17.03
    ethylene glycol 17.74
    NMP 432.74
    cyclohexane 24.52
    DMSO 611.25
    n-butyl acetate 234.0
    n-octanol 50.72
    chloroform 1307.59
    n-propyl acetate 257.58
    acetic acid 167.49
    dichloromethane 1759.0
    cyclohexanone 598.76
    propylene glycol 31.98
    isopropyl acetate 206.23
    DMAc 744.84
    2-ethoxyethanol 148.64
    isopentanol 83.14
    n-heptane 15.15
    ethyl formate 205.96
    1,2-dichloroethane 1348.71
    n-hexanol 73.84
    2-methoxyethanol 215.53
    isobutyl acetate 148.95
    tetrachloromethane 59.03
    n-pentyl acetate 136.55
    transcutol 968.18
    n-heptanol 47.38
    ethylbenzene 131.01
    MIBK 212.29
    2-propoxyethanol 154.3
    tert-butanol 82.36
    MTBE 147.76
    2-butoxyethanol 114.46
    propionic acid 148.08
    o-xylene 117.13
    formic acid 45.02
    diethyl ether 275.99
    m-xylene 125.43
    p-xylene 133.5
    chlorobenzene 402.3
    dimethyl carbonate 210.8
    n-octane 7.96
    formamide 173.16
    cyclopentanone 748.05
    2-pentanone 388.12
    anisole 306.67
    cyclopentyl methyl ether 274.87
    gamma-butyrolactone 781.99
    1-methoxy-2-propanol 170.3
    pyridine 723.55
    3-pentanone 335.94
    furfural 587.29
    n-dodecane 6.93
    diethylene glycol 89.87
    diisopropyl ether 65.45
    tert-amyl alcohol 94.28
    acetylacetone 432.81
    n-hexadecane 8.24
    acetophenone 284.95
    methyl propionate 348.67
    isopentyl acetate 197.61
    trichloroethylene 2172.31
    n-nonanol 49.91
    cyclohexanol 98.82
    benzyl alcohol 153.15
    2-ethylhexanol 64.51
    isooctanol 46.63
    dipropyl ether 128.38
    1,2-dichlorobenzene 358.35
    ethyl lactate 94.2
    propylene carbonate 362.97
    n-methylformamide 297.09
    2-pentanol 72.38
    n-pentane 10.76
    1-propoxy-2-propanol 126.47
    1-methoxy-2-propyl acetate 221.22
    2-(2-methoxypropoxy) propanol 144.23
    mesitylene 68.48
    ε-caprolactone 425.2
    p-cymene 55.79
    epichlorohydrin 1150.58
    1,1,1-trichloroethane 579.13
    2-aminoethanol 46.3
    morpholine-4-carbaldehyde 407.78
    sulfolane 750.74
    2,2,4-trimethylpentane 10.46
    2-methyltetrahydrofuran 393.0
    n-hexyl acetate 183.91
    isooctane 8.56
    2-(2-butoxyethoxy)ethanol 203.29
    sec-butyl acetate 169.79
    tert-butyl acetate 194.44
    decalin 22.66
    glycerin 47.07
    diglyme 521.58
    acrylic acid 145.13
    isopropyl myristate 68.17
    n-butyric acid 215.25
    acetyl acetate 233.94
    di(2-ethylhexyl) phthalate 57.81
    ethyl propionate 232.26
    nitromethane 615.28
    1,2-diethoxyethane 310.68
    benzonitrile 272.41
    trioctyl phosphate 38.77
    1-bromopropane 434.29
    gamma-valerolactone 661.26
    n-decanol 37.99
    triethyl phosphate 90.94
    4-methyl-2-pentanol 50.15
    propionitrile 271.87
    vinylene carbonate 363.89
    1,1,2-trichlorotrifluoroethane 409.2
    DMS 219.24
    cumene 70.16
    2-octanol 37.03
    2-hexanone 256.21
    octyl acetate 84.48
    limonene 73.57
    1,2-dimethoxyethane 393.06
    ethyl orthosilicate 83.15
    tributyl phosphate 57.82
    diacetone alcohol 196.74
    N,N-dimethylaniline 150.73
    acrylonitrile 404.5
    aniline 209.06
    1,3-propanediol 71.21
    bromobenzene 469.27
    dibromomethane 934.07
    1,1,2,2-tetrachloroethane 1495.16
    2-methyl-cyclohexyl acetate 131.12
    tetrabutyl urea 81.84
    diisobutyl methanol 48.96
    2-phenylethanol 127.32
    styrene 194.96
    dioctyl adipate 113.33
    dimethyl sulfate 312.96
    ethyl butyrate 203.98
    methyl lactate 117.65
    butyl lactate 99.65
    diethyl carbonate 143.35
    propanediol butyl ether 98.13
    triethyl orthoformate 122.88
    p-tert-butyltoluene 49.65
    methyl 4-tert-butylbenzoate 161.75
    morpholine 430.49
    tert-butylamine 53.55
    n-dodecanol 30.05
    dimethoxymethane 417.54
    ethylene carbonate 272.04
    cyrene 136.49
    2-ethoxyethyl acetate 214.97
    2-ethylhexyl acetate 153.62
    1,2,4-trichlorobenzene 388.53
    4-methylpyridine 578.29
    dibutyl ether 127.18
    2,6-dimethyl-4-heptanol 48.96
    DEF 425.94
    dimethyl isosorbide 284.87
    tetrachloroethylene 674.35
    eugenol 147.99
    triacetin 200.0
    span 80 99.59
    1,4-butanediol 34.19
    1,1-dichloroethane 819.98
    2-methyl-1-pentanol 82.03
    methyl formate 248.83
    2-methyl-1-butanol 82.83
    n-decane 11.55
    butyronitrile 235.87
    3,7-dimethyl-1-octanol 58.15
    1-chlorooctane 63.61
    1-chlorotetradecane 23.91
    n-nonane 10.86
    undecane 8.6
    tert-butylcyclohexane 18.82
    cyclooctane 9.19
    cyclopentanol 109.8
    tetrahydropyran 407.34
    tert-amyl methyl ether 134.03
    2,5,8-trioxanonane 294.96
    1-hexene 86.34
    2-isopropoxyethanol 118.43
    2,2,2-trifluoroethanol 65.91
    methyl butyrate 311.12

    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

Botanical

Name CAS Botanical Proportion
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 10.3%
Jasmine sambac (France) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 4.2%