2-Propenal, 3-(2-(acetyloxy)phenyl)-

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  • Identifiers

    CAS number
    33538-94-2

    Molecular formula
    C11H10O3

    SMILES
    CC(=O)OC1=CC=CC=C1/C=C/C=O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 64.44%
    Sweet 56.65%
    Balsamic 52.78%
    Vanilla 50.34%
    Cinnamon 45.21%
    Warm 40.15%
    Woody 38.7%
    Phenolic 37.41%
    Powdery 35.54%
    Floral 34.49%

     

    Flavor
    Sweet 82.5%
    Cinnamon 49.26%
    Floral 43.29%
    Vanilla 42.75%
    Balsam 42.34%
    Spice 40.89%
    Woody 39.98%
    Spicy 38.47%
    Cherry 38.19%
    Powdery 37.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.63 (neutral)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 153.15 ˚C est.

  • Synonyms

    • 2-Propenal, 3-(2-(acetyloxy)phenyl)-
    • 33538-94-2
    • RefChem:1064437
    • 2-Hydroxycinnamaldehyde acetate
    • 3-(2-(Acetyloxy)phenyl)-2-propenal
    • BRN 2443620
    • CHEMBL81543
    • SCHEMBL6475477
    • SCHEMBL15330637
    • AKOS004118500
    • NSC 114587
    • 33538-94-2

  • Applications

    2-Propenal, 3-(2-(acetyloxy)phenyl)- (CAS 33538-94-2) is primarily used as an intermediate in the synthesis of aroma and fragrance compounds. In perfumery and cosmetics, it may act as a fragrance ingredient or as a building block for more complex odor molecules. It may also be employed in household products such as air fresheners and cleaners as a fragrance component. In industrial manufacturing, it serves as a synthetic building block for aroma chemicals and related specialty compounds, and can be a precursor in coatings or inks where fragrance additives are desirable. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.1
    methanol 93.57
    isopropanol 27.9
    water 0.38
    ethyl acetate 94.5
    n-propanol 28.26
    acetone 237.82
    n-butanol 23.96
    acetonitrile 115.8
    DMF 404.69
    toluene 28.53
    isobutanol 20.27
    1,4-dioxane 175.68
    methyl acetate 140.93
    THF 267.91
    2-butanone 126.49
    n-pentanol 26.51
    sec-butanol 24.05
    n-hexane 2.41
    ethylene glycol 33.58
    NMP 368.59
    cyclohexane 2.41
    DMSO 630.64
    n-butyl acetate 72.48
    n-octanol 27.59
    chloroform 153.04
    n-propyl acetate 78.43
    acetic acid 102.68
    dichloromethane 229.14
    cyclohexanone 150.64
    propylene glycol 25.73
    isopropyl acetate 53.84
    DMAc 472.66
    2-ethoxyethanol 86.55
    isopentanol 25.27
    n-heptane 2.73
    ethyl formate 79.22
    1,2-dichloroethane 152.38
    n-hexanol 28.27
    2-methoxyethanol 135.73
    isobutyl acetate 50.22
    tetrachloromethane 9.65
    n-pentyl acetate 41.27
    transcutol 295.44
    n-heptanol 17.28
    ethylbenzene 31.68
    MIBK 56.32
    2-propoxyethanol 92.57
    tert-butanol 51.64
    MTBE 48.37
    2-butoxyethanol 48.03
    propionic acid 64.35
    o-xylene 31.36
    formic acid 48.92
    diethyl ether 52.25
    m-xylene 26.02
    p-xylene 42.74
    chlorobenzene 63.42
    dimethyl carbonate 86.39
    n-octane 2.08
    formamide 100.71
    cyclopentanone 256.34
    2-pentanone 81.82
    anisole 102.51
    cyclopentyl methyl ether 75.27
    gamma-butyrolactone 302.56
    1-methoxy-2-propanol 85.4
    pyridine 120.97
    3-pentanone 71.46
    furfural 238.28
    n-dodecane 3.8
    diethylene glycol 102.17
    diisopropyl ether 15.84
    tert-amyl alcohol 40.57
    acetylacetone 153.3
    n-hexadecane 4.33
    acetophenone 101.66
    methyl propionate 100.99
    isopentyl acetate 61.24
    trichloroethylene 244.63
    n-nonanol 26.2
    cyclohexanol 31.94
    benzyl alcohol 66.48
    2-ethylhexanol 25.93
    isooctanol 16.79
    dipropyl ether 37.45
    1,2-dichlorobenzene 68.65
    ethyl lactate 53.95
    propylene carbonate 139.79
    n-methylformamide 138.37
    2-pentanol 17.11
    n-pentane 1.17
    1-propoxy-2-propanol 62.57
    1-methoxy-2-propyl acetate 88.76
    2-(2-methoxypropoxy) propanol 87.87
    mesitylene 19.32
    ε-caprolactone 126.25
    p-cymene 23.83
    epichlorohydrin 282.21
    1,1,1-trichloroethane 78.36
    2-aminoethanol 34.74
    morpholine-4-carbaldehyde 267.81
    sulfolane 379.97
    2,2,4-trimethylpentane 2.41
    2-methyltetrahydrofuran 125.45
    n-hexyl acetate 69.26
    isooctane 1.76
    2-(2-butoxyethoxy)ethanol 98.0
    sec-butyl acetate 50.23
    tert-butyl acetate 68.73
    decalin 6.7
    glycerin 55.55
    diglyme 186.74
    acrylic acid 74.93
    isopropyl myristate 33.73
    n-butyric acid 56.66
    acetyl acetate 77.62
    di(2-ethylhexyl) phthalate 38.84
    ethyl propionate 74.73
    nitromethane 282.41
    1,2-diethoxyethane 89.42
    benzonitrile 87.33
    trioctyl phosphate 26.22
    1-bromopropane 48.58
    gamma-valerolactone 254.97
    n-decanol 22.18
    triethyl phosphate 46.13
    4-methyl-2-pentanol 15.39
    propionitrile 65.46
    vinylene carbonate 131.17
    1,1,2-trichlorotrifluoroethane 138.98
    DMS 103.39
    cumene 26.58
    2-octanol 15.21
    2-hexanone 73.98
    octyl acetate 41.55
    limonene 29.03
    1,2-dimethoxyethane 203.0
    ethyl orthosilicate 39.79
    tributyl phosphate 36.28
    diacetone alcohol 82.33
    N,N-dimethylaniline 73.01
    acrylonitrile 112.39
    aniline 55.22
    1,3-propanediol 43.68
    bromobenzene 62.44
    dibromomethane 115.82
    1,1,2,2-tetrachloroethane 162.9
    2-methyl-cyclohexyl acetate 57.84
    tetrabutyl urea 52.16
    diisobutyl methanol 19.53
    2-phenylethanol 56.01
    styrene 41.26
    dioctyl adipate 54.46
    dimethyl sulfate 170.75
    ethyl butyrate 65.79
    methyl lactate 70.13
    butyl lactate 42.15
    diethyl carbonate 59.72
    propanediol butyl ether 57.56
    triethyl orthoformate 49.3
    p-tert-butyltoluene 22.33
    methyl 4-tert-butylbenzoate 79.68
    morpholine 148.4
    tert-butylamine 24.25
    n-dodecanol 19.14
    dimethoxymethane 180.02
    ethylene carbonate 99.07
    cyrene 96.09
    2-ethoxyethyl acetate 70.71
    2-ethylhexyl acetate 49.63
    1,2,4-trichlorobenzene 86.52
    4-methylpyridine 120.35
    dibutyl ether 43.21
    2,6-dimethyl-4-heptanol 19.53
    DEF 120.49
    dimethyl isosorbide 141.09
    tetrachloroethylene 81.69
    eugenol 78.54
    triacetin 92.89
    span 80 60.81
    1,4-butanediol 24.64
    1,1-dichloroethane 99.26
    2-methyl-1-pentanol 29.14
    methyl formate 147.62
    2-methyl-1-butanol 23.06
    n-decane 4.8
    butyronitrile 53.96
    3,7-dimethyl-1-octanol 28.91
    1-chlorooctane 22.33
    1-chlorotetradecane 12.89
    n-nonane 4.05
    undecane 4.26
    tert-butylcyclohexane 6.39
    cyclooctane 1.13
    cyclopentanol 43.23
    tetrahydropyran 88.75
    tert-amyl methyl ether 45.32
    2,5,8-trioxanonane 144.62
    1-hexene 15.69
    2-isopropoxyethanol 61.41
    2,2,2-trifluoroethanol 47.89
    methyl butyrate 99.72

    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