trans-Coumaryl acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    619334-27-9

    Molecular formula
    C11H12O3

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

  • Odor profile

    Sweet 77.86%
    Floral 72.43%
    Fruity 64.16%
    Spicy 63.39%
    Balsamic 60.67%
    Cherry 41.15%
    Woody 40.65%
    Powdery 39.91%
    Cinnamon 39.43%
    Vanilla 38.74%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.29 (weak base)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    335°C

    Flash point est.
    167.22 ˚C

  • Synonyms

    • trans-coumaryl acetate
    • coumaryl acetate
    • trans-p-hydroxycinnamyl acetate
    • CHEBI:73346
    • [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate
    • (2E)-3-(4-hydroxyphenyl)prop-2-en-1-yl acetate
    • 619334-27-9
    • p-coumaryl acetate
    • Phenol, 4-[3-(acetyloxy)-1-propen-1-yl]-
    • CHEMBL111715
    • SCHEMBL7368082
    • DTXSID201268499
    • (E)-3-(4-Hydroxyphenyl)allyl acetate
    • [(E)-3-(4-hydroxyphenyl)allyl] acetate
    • C20465
    • 4-[(1E)-3-(Acetyloxy)-1-propen-1-yl]phenol
    • Q27140449

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.17
    methanol 152.23
    isopropanol 81.08
    water 1.16
    ethyl acetate 58.75
    n-propanol 68.51
    acetone 129.72
    n-butanol 47.95
    acetonitrile 74.3
    DMF 307.88
    toluene 5.19
    isobutanol 38.57
    1,4-dioxane 153.5
    methyl acetate 93.09
    THF 217.72
    2-butanone 91.28
    n-pentanol 42.08
    sec-butanol 61.43
    n-hexane 0.37
    ethylene glycol 81.45
    NMP 111.63
    cyclohexane 0.27
    DMSO 530.09
    n-butyl acetate 29.8
    n-octanol 12.41
    chloroform 41.77
    n-propyl acetate 33.11
    acetic acid 122.41
    dichloromethane 37.17
    cyclohexanone 55.19
    propylene glycol 131.77
    isopropyl acetate 36.59
    DMAc 485.65
    2-ethoxyethanol 203.44
    isopentanol 44.39
    n-heptane 0.5
    ethyl formate 35.88
    1,2-dichloroethane 31.14
    n-hexanol 24.96
    2-methoxyethanol 291.52
    isobutyl acetate 24.37
    tetrachloromethane 3.38
    n-pentyl acetate 13.6
    transcutol 559.57
    n-heptanol 11.55
    ethylbenzene 5.85
    MIBK 38.19
    2-propoxyethanol 114.04
    tert-butanol 138.5
    MTBE 69.15
    2-butoxyethanol 48.03
    propionic acid 70.2
    o-xylene 7.27
    formic acid 101.55
    diethyl ether 37.01
    m-xylene 6.0
    p-xylene 8.48
    chlorobenzene 11.86
    dimethyl carbonate 58.13
    n-octane 0.31
    formamide 192.76
    cyclopentanone 90.93
    2-pentanone 43.73
    anisole 58.77
    cyclopentyl methyl ether 35.71
    gamma-butyrolactone 114.05
    1-methoxy-2-propanol 191.93
    pyridine 47.55
    3-pentanone 34.34
    furfural 119.75
    n-dodecane 0.63
    diethylene glycol 164.28
    diisopropyl ether 10.13
    tert-amyl alcohol 89.57
    acetylacetone 97.16
    n-hexadecane 0.71
    acetophenone 46.7
    methyl propionate 61.06
    isopentyl acetate 34.76
    trichloroethylene 69.92
    n-nonanol 12.85
    cyclohexanol 23.13
    benzyl alcohol 44.67
    2-ethylhexanol 15.96
    isooctanol 11.47
    dipropyl ether 18.39
    1,2-dichlorobenzene 17.4
    ethyl lactate 37.68
    propylene carbonate 51.67
    n-methylformamide 121.26
    2-pentanol 28.94
    n-pentane 0.22
    1-propoxy-2-propanol 68.99
    1-methoxy-2-propyl acetate 70.41
    2-(2-methoxypropoxy) propanol 102.59
    mesitylene 5.2
    ε-caprolactone 55.77
    p-cymene 7.0
    epichlorohydrin 155.35
    1,1,1-trichloroethane 23.24
    2-aminoethanol 121.14
    morpholine-4-carbaldehyde 219.92
    sulfolane 168.36
    2,2,4-trimethylpentane 1.17
    2-methyltetrahydrofuran 74.24
    n-hexyl acetate 27.36
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 127.3
    sec-butyl acetate 27.65
    tert-butyl acetate 60.7
    decalin 1.22
    glycerin 189.47
    diglyme 216.85
    acrylic acid 70.96
    isopropyl myristate 14.32
    n-butyric acid 55.95
    acetyl acetate 44.5
    di(2-ethylhexyl) phthalate 21.21
    ethyl propionate 35.93
    nitromethane 275.26
    1,2-diethoxyethane 83.13
    benzonitrile 30.02
    trioctyl phosphate 11.59
    1-bromopropane 10.1
    gamma-valerolactone 162.61
    n-decanol 10.37
    triethyl phosphate 25.93
    4-methyl-2-pentanol 21.1
    propionitrile 41.24
    vinylene carbonate 48.15
    1,1,2-trichlorotrifluoroethane 151.23
    DMS 48.85
    cumene 7.02
    2-octanol 7.59
    2-hexanone 39.69
    octyl acetate 17.37
    limonene 8.43
    1,2-dimethoxyethane 233.6
    ethyl orthosilicate 24.54
    tributyl phosphate 19.0
    diacetone alcohol 106.2
    N,N-dimethylaniline 40.7
    acrylonitrile 57.2
    aniline 27.76
    1,3-propanediol 125.22
    bromobenzene 8.86
    dibromomethane 16.07
    1,1,2,2-tetrachloroethane 64.86
    2-methyl-cyclohexyl acetate 31.33
    tetrabutyl urea 26.49
    diisobutyl methanol 13.17
    2-phenylethanol 33.29
    styrene 8.06
    dioctyl adipate 29.36
    dimethyl sulfate 122.23
    ethyl butyrate 29.0
    methyl lactate 71.02
    butyl lactate 25.56
    diethyl carbonate 27.61
    propanediol butyl ether 66.34
    triethyl orthoformate 30.15
    p-tert-butyltoluene 7.48
    methyl 4-tert-butylbenzoate 46.89
    morpholine 189.09
    tert-butylamine 44.44
    n-dodecanol 8.53
    dimethoxymethane 172.01
    ethylene carbonate 37.42
    cyrene 77.24
    2-ethoxyethyl acetate 41.25
    2-ethylhexyl acetate 24.73
    1,2,4-trichlorobenzene 26.82
    4-methylpyridine 42.87
    dibutyl ether 18.92
    2,6-dimethyl-4-heptanol 13.17
    DEF 69.61
    dimethyl isosorbide 132.74
    tetrachloroethylene 30.15
    eugenol 56.48
    triacetin 60.93
    span 80 56.02
    1,4-butanediol 53.98
    1,1-dichloroethane 22.99
    2-methyl-1-pentanol 40.78
    methyl formate 83.57
    2-methyl-1-butanol 39.77
    n-decane 0.86
    butyronitrile 33.13
    3,7-dimethyl-1-octanol 17.76
    1-chlorooctane 5.1
    1-chlorotetradecane 2.78
    n-nonane 0.67
    undecane 0.72
    tert-butylcyclohexane 1.59
    cyclooctane 0.19
    cyclopentanol 30.56
    tetrahydropyran 47.99
    tert-amyl methyl ether 50.11
    2,5,8-trioxanonane 179.13
    1-hexene 3.19
    2-isopropoxyethanol 111.43
    2,2,2-trifluoroethanol 47.04
    methyl butyrate 42.16

    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
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 1.1%