Caffeic Acid Phenethyl Ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    104594-70-9

    Molecular formula
    C17H16O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 59.45%
    Spicy 52.3%
    Odorless 36.89%
    Sweet 35.99%
    Vanilla 34.37%
    Phenolic 33.65%
    Floral 28.85%
    Honey 25.65%
    Clove 25.21%
    Aromatic 25.01%

     

    Flavor
    Bitter 47.0%
    Sweet 41.18%
    Balsam 40.72%
    Floral 38.57%
    Wintergreen 27.83%
    Honey 27.3%
    Odorless 27.23%
    Powdery 26.95%
    Mild 25.34%
    Faint 24.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    9.61 (weak base)

    Molecular weight
    284.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    497°C

    Flash point

    • 215.2 ˚C est.

  • Synonyms

    • Caffeic acid phenethyl ester
    • 104594-70-9
    • Phenethyl caffeate
    • CAPE
    • Capeee
    • 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • G960R9S5SK
    • 2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
    • CHEBI:8062
    • DTXSID8040987
    • CAPE compound
    • RefChem:573319
    • DTXCID40810387
    • 3-(3,4-Dihydroxyphenyl)-2-propenoic Acid, 2-Phenylethyl Ester
    • caffeic acid phenyl ester
    • phenethyl 3-(3,4-dihydroxyphenyl)acrylate
    • 115610-29-2
    • Phenylethyl caffeate
    • 100981-80-4
    • caffeic acid phenylethyl ester
    • PHENETHYL CAFFEATE (CAPE)
    • 2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate
    • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
    • (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate
    • MFCD00866470
    • 2-phenylethyl caffeate
    • CHEMBL319244
    • SMR000326751
    • Phenethyl (E)-caffeate
    • SR-01000075785
    • UNII-G960R9S5SK
    • phenylethylcaffeate
    • Caffeic acid ester
    • QAP
    • caffeic acidphenethylester
    • caffeic acid phenethylester
    • caffeic-acid-phenethyl-ester
    • caffeic acid phenylethylester
    • Lopac0_000269
    • Phenylethyl caffeate, (E)-
    • BSPBio_001560
    • BSPBio_003586
    • MLS000859889
    • MLS002207297
    • Caffeic acid-phenylethyl ester
    • SCHEMBL490546
    • SPECTRUM1502209
    • 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
    • orb1300776
    • phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • SCHEMBL30070826
    • CHEBI:93478
    • DTXSID80861176
    • FR102
    • GLXC-08018
    • HMS1361N22
    • HMS1791N22
    • HMS1989N22
    • HMS2233J04
    • HMS3260F20
    • HMS3402N22
    • HMS3413D22
    • HMS3649C16
    • HMS3677D22
    • Phenylethyl 3,4-dihydroxycinnamate
    • Caffeic acid beta-phenylethyl ester
    • Caffeic acid phenethyl ester(CAPE)
    • HY-N0274
    • MSK14259
    • Tox21_500269
    • BDBM50029207
    • CCG-39542
    • s7414
    • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)-
    • AKOS015888207
    • AC-8896
    • EBC-459091
    • FC19630
    • LP00269
    • SDCCGSBI-0050257.P002
    • IDI1_034030
    • QTL1_000016
    • NCGC00093727-01
    • NCGC00093727-02
    • NCGC00093727-03
    • NCGC00093727-04
    • NCGC00093727-05
    • NCGC00093727-06
    • NCGC00093727-07
    • NCGC00093727-08
    • NCGC00093727-09
    • NCGC00093727-16
    • NCGC00260954-01
    • AS-14021
    • LS-14562
    • SY032957
    • SY271989
    • CS-0008774
    • EU-0100269
    • SW219156-1
    • (E)-phenethyl3-(3,4-dihydroxyphenyl)acrylate
    • C 8221
    • Phenethyl (E)-3-(3,4-Dihydroxyphenyl)acrylate
    • F814395
    • SR-01000075785-1
    • SR-01000075785-6
    • SR-01000075785-9
    • BRD-K84709232-001-02-6
    • BRD-K96188950-001-02-9
    • BRD-K96188950-001-04-5
    • BRD-K96188950-001-15-1
    • BRD-K96188950-001-16-9
    • Caffeic acid phenethyl ester, >=97% (HPLC), powder
    • Caffeic acid phenethyl esterCAPE; Phenylethyl caffeate
    • Q15410860
    • 3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester
    • (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester
    • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester;CAPE;Phenethyl caffeate
    • 104594-70-9

  • Applications

    Caffeic Acid Phenethyl Ester (CAS 104594-70-9) is used primarily as an antioxidant and stabilizer in cosmetics and personal care formulations, helping to protect oils and active ingredients from oxidation; it is also employed as an antioxidant additive in polymers and plastics to improve processing stability and long-term performance; in coatings and inks it serves to inhibit oxidative degradation and color fading; it functions as a useful chemical building block or intermediate in organic synthesis for phenolic derivatives, and is investigated in pharmaceutical research as part of phenolic scaffolds for drug discovery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.17
    methanol 206.7
    isopropanol 79.7
    water 0.09
    ethyl acetate 109.01
    n-propanol 91.94
    acetone 112.91
    n-butanol 51.54
    acetonitrile 60.51
    DMF 53.75
    toluene 10.93
    isobutanol 27.49
    1,4-dioxane 170.96
    methyl acetate 100.42
    THF 530.41
    2-butanone 142.91
    n-pentanol 40.4
    sec-butanol 66.78
    n-hexane 0.23
    ethylene glycol 25.66
    NMP 12.32
    cyclohexane 0.35
    DMSO 456.83
    n-butyl acetate 16.42
    n-octanol 7.68
    chloroform 23.69
    n-propyl acetate 24.61
    acetic acid 89.32
    dichloromethane 27.94
    cyclohexanone 40.22
    propylene glycol 51.42
    isopropyl acetate 44.66
    DMAc 153.03
    2-ethoxyethanol 158.95
    isopentanol 32.46
    n-heptane 0.68
    ethyl formate 26.94
    1,2-dichloroethane 37.39
    n-hexanol 20.94
    2-methoxyethanol 272.72
    isobutyl acetate 11.33
    tetrachloromethane 1.52
    n-pentyl acetate 11.5
    transcutol 291.78
    n-heptanol 10.18
    ethylbenzene 6.38
    MIBK 36.76
    2-propoxyethanol 76.45
    tert-butanol 99.97
    MTBE 55.77
    2-butoxyethanol 35.38
    propionic acid 50.22
    o-xylene 7.2
    formic acid 46.42
    diethyl ether 65.44
    m-xylene 5.77
    p-xylene 5.98
    chlorobenzene 7.21
    dimethyl carbonate 37.54
    n-octane 0.45
    formamide 155.2
    cyclopentanone 62.77
    2-pentanone 76.98
    anisole 32.14
    cyclopentyl methyl ether 39.16
    gamma-butyrolactone 78.41
    1-methoxy-2-propanol 161.4
    pyridine 59.13
    3-pentanone 47.96
    furfural 47.77
    n-dodecane 0.62
    diethylene glycol 73.86
    diisopropyl ether 9.28
    tert-amyl alcohol 69.56
    acetylacetone 106.31
    n-hexadecane 0.69
    acetophenone 24.02
    methyl propionate 67.97
    isopentyl acetate 18.57
    trichloroethylene 56.57
    n-nonanol 9.14
    cyclohexanol 23.54
    benzyl alcohol 27.86
    2-ethylhexanol 10.14
    isooctanol 9.13
    dipropyl ether 19.41
    1,2-dichlorobenzene 7.68
    ethyl lactate 18.87
    propylene carbonate 23.54
    n-methylformamide 55.63
    2-pentanol 33.75
    n-pentane 0.23
    1-propoxy-2-propanol 46.76
    1-methoxy-2-propyl acetate 44.44
    2-(2-methoxypropoxy) propanol 50.49
    mesitylene 3.64
    ε-caprolactone 35.73
    p-cymene 4.6
    epichlorohydrin 182.68
    1,1,1-trichloroethane 14.08
    2-aminoethanol 64.16
    morpholine-4-carbaldehyde 51.89
    sulfolane 71.71
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 90.63
    n-hexyl acetate 15.05
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 70.83
    sec-butyl acetate 19.12
    tert-butyl acetate 57.39
    decalin 0.65
    glycerin 66.95
    diglyme 140.31
    acrylic acid 36.29
    isopropyl myristate 10.07
    n-butyric acid 48.9
    acetyl acetate 36.73
    di(2-ethylhexyl) phthalate 9.88
    ethyl propionate 26.7
    nitromethane 210.0
    1,2-diethoxyethane 70.79
    benzonitrile 14.74
    trioctyl phosphate 6.72
    1-bromopropane 10.28
    gamma-valerolactone 87.8
    n-decanol 7.93
    triethyl phosphate 12.69
    4-methyl-2-pentanol 15.17
    propionitrile 39.88
    vinylene carbonate 19.96
    1,1,2-trichlorotrifluoroethane 65.67
    DMS 22.89
    cumene 4.31
    2-octanol 5.88
    2-hexanone 31.82
    octyl acetate 11.4
    limonene 5.97
    1,2-dimethoxyethane 168.49
    ethyl orthosilicate 13.28
    tributyl phosphate 9.14
    diacetone alcohol 89.48
    N,N-dimethylaniline 17.65
    acrylonitrile 47.75
    aniline 24.01
    1,3-propanediol 106.63
    bromobenzene 5.69
    dibromomethane 11.95
    1,1,2,2-tetrachloroethane 47.09
    2-methyl-cyclohexyl acetate 15.89
    tetrabutyl urea 14.36
    diisobutyl methanol 9.75
    2-phenylethanol 22.26
    styrene 7.88
    dioctyl adipate 17.59
    dimethyl sulfate 45.08
    ethyl butyrate 18.19
    methyl lactate 37.72
    butyl lactate 14.73
    diethyl carbonate 14.72
    propanediol butyl ether 27.22
    triethyl orthoformate 17.76
    p-tert-butyltoluene 4.76
    methyl 4-tert-butylbenzoate 27.51
    morpholine 189.46
    tert-butylamine 26.72
    n-dodecanol 6.58
    dimethoxymethane 183.18
    ethylene carbonate 17.7
    cyrene 33.64
    2-ethoxyethyl acetate 32.27
    2-ethylhexyl acetate 11.11
    1,2,4-trichlorobenzene 12.0
    4-methylpyridine 23.64
    dibutyl ether 14.93
    2,6-dimethyl-4-heptanol 9.75
    DEF 40.17
    dimethyl isosorbide 72.86
    tetrachloroethylene 24.36
    eugenol 28.88
    triacetin 28.35
    span 80 26.64
    1,4-butanediol 33.11
    1,1-dichloroethane 17.92
    2-methyl-1-pentanol 29.02
    methyl formate 45.82
    2-methyl-1-butanol 30.44
    n-decane 0.86
    butyronitrile 27.19
    3,7-dimethyl-1-octanol 10.59
    1-chlorooctane 3.94
    1-chlorotetradecane 2.22
    n-nonane 0.65
    undecane 0.73
    tert-butylcyclohexane 0.67
    cyclooctane 0.22
    cyclopentanol 27.35
    tetrahydropyran 103.03
    tert-amyl methyl ether 39.74
    2,5,8-trioxanonane 110.16
    1-hexene 2.67
    2-isopropoxyethanol 76.71
    2,2,2-trifluoroethanol 20.72
    methyl butyrate 26.99

    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