4-[Acetyloxy-methyl]benzaldehyde

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  • Identifiers

    CAS number
    54549-74-5

    Molecular formula
    C10H10O3

    SMILES
    CC(=O)OCC1=CC=C(C=C1)C=O

  • Odor profile

    Sweet 83.89%
    Fruity 80.39%
    Floral 75.64%
    Cherry 67.53%
    Anisic 48.95%
    Almond 48.9%
    Vanilla 46.47%
    Balsamic 43.0%
    Powdery 42.91%
    Spicy 42.21%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.01 (neutral)

    Molecular weight
    178.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point est.
    134.76 ˚C

  • Synonyms

    • 4-[acetyloxy-methyl]benzaldehyde
    • 54549-74-5
    • Benzaldehyde, 4-[(acetyloxy)methyl]-
    • 4-Formylbenzyl acetate #
    • 4-Acetoxymethylbenzaldehyde
    • SCHEMBL3082528
    • Acetic acid 4-formylbenzyl ester
    • DTXSID20337183
    • DB-318540

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 132.82
    methanol 176.02
    isopropanol 96.86
    water 1.7
    ethyl acetate 114.47
    n-propanol 76.8
    acetone 168.5
    n-butanol 58.08
    acetonitrile 177.62
    DMF 249.04
    toluene 16.58
    isobutanol 47.78
    1,4-dioxane 232.02
    methyl acetate 200.38
    THF 171.06
    2-butanone 156.27
    n-pentanol 49.37
    sec-butanol 74.38
    n-hexane 0.46
    ethylene glycol 62.75
    NMP 100.66
    cyclohexane 0.59
    DMSO 300.07
    n-butyl acetate 40.99
    n-octanol 18.17
    chloroform 156.47
    n-propyl acetate 67.47
    acetic acid 141.67
    dichloromethane 194.44
    cyclohexanone 100.29
    propylene glycol 100.12
    isopropyl acetate 48.08
    DMAc 357.24
    2-ethoxyethanol 188.21
    isopentanol 51.53
    n-heptane 0.74
    ethyl formate 80.48
    1,2-dichloroethane 109.31
    n-hexanol 33.44
    2-methoxyethanol 275.06
    isobutyl acetate 38.61
    tetrachloromethane 7.66
    n-pentyl acetate 19.89
    transcutol 384.86
    n-heptanol 16.76
    ethylbenzene 18.32
    MIBK 48.0
    2-propoxyethanol 110.93
    tert-butanol 135.48
    MTBE 52.17
    2-butoxyethanol 55.08
    propionic acid 99.02
    o-xylene 19.06
    formic acid 110.2
    diethyl ether 38.28
    m-xylene 14.05
    p-xylene 25.73
    chlorobenzene 32.63
    dimethyl carbonate 54.23
    n-octane 0.68
    formamide 257.52
    cyclopentanone 132.71
    2-pentanone 66.17
    anisole 91.64
    cyclopentyl methyl ether 41.74
    gamma-butyrolactone 172.99
    1-methoxy-2-propanol 178.71
    pyridine 117.63
    3-pentanone 51.62
    furfural 193.28
    n-dodecane 1.17
    diethylene glycol 128.64
    diisopropyl ether 8.27
    tert-amyl alcohol 91.03
    acetylacetone 96.9
    n-hexadecane 1.31
    acetophenone 81.29
    methyl propionate 99.13
    isopentyl acetate 39.48
    trichloroethylene 217.2
    n-nonanol 18.13
    cyclohexanol 39.75
    benzyl alcohol 78.31
    2-ethylhexanol 22.22
    isooctanol 15.94
    dipropyl ether 18.57
    1,2-dichlorobenzene 36.81
    ethyl lactate 49.45
    propylene carbonate 83.53
    n-methylformamide 162.21
    2-pentanol 34.83
    n-pentane 0.29
    1-propoxy-2-propanol 64.57
    1-methoxy-2-propyl acetate 69.38
    2-(2-methoxypropoxy) propanol 86.63
    mesitylene 8.64
    ε-caprolactone 92.2
    p-cymene 11.37
    epichlorohydrin 252.04
    1,1,1-trichloroethane 60.54
    2-aminoethanol 106.34
    morpholine-4-carbaldehyde 213.63
    sulfolane 158.58
    2,2,4-trimethylpentane 1.09
    2-methyltetrahydrofuran 91.49
    n-hexyl acetate 34.26
    isooctane 0.82
    2-(2-butoxyethoxy)ethanol 104.69
    sec-butyl acetate 42.41
    tert-butyl acetate 54.42
    decalin 1.85
    glycerin 135.51
    diglyme 197.51
    acrylic acid 91.2
    isopropyl myristate 17.13
    n-butyric acid 85.51
    acetyl acetate 63.37
    di(2-ethylhexyl) phthalate 23.16
    ethyl propionate 60.4
    nitromethane 376.06
    1,2-diethoxyethane 68.7
    benzonitrile 67.94
    trioctyl phosphate 13.87
    1-bromopropane 29.69
    gamma-valerolactone 215.17
    n-decanol 15.16
    triethyl phosphate 29.24
    4-methyl-2-pentanol 23.74
    propionitrile 96.92
    vinylene carbonate 87.2
    1,1,2-trichlorotrifluoroethane 173.12
    DMS 60.53
    cumene 14.58
    2-octanol 11.33
    2-hexanone 61.38
    octyl acetate 21.47
    limonene 13.18
    1,2-dimethoxyethane 246.46
    ethyl orthosilicate 25.34
    tributyl phosphate 19.7
    diacetone alcohol 103.74
    N,N-dimethylaniline 55.2
    acrylonitrile 150.3
    aniline 55.57
    1,3-propanediol 123.86
    bromobenzene 27.09
    dibromomethane 73.9
    1,1,2,2-tetrachloroethane 155.09
    2-methyl-cyclohexyl acetate 38.88
    tetrabutyl urea 28.67
    diisobutyl methanol 14.83
    2-phenylethanol 52.62
    styrene 23.83
    dioctyl adipate 31.99
    dimethyl sulfate 92.97
    ethyl butyrate 41.67
    methyl lactate 74.53
    butyl lactate 28.92
    diethyl carbonate 36.73
    propanediol butyl ether 62.35
    triethyl orthoformate 30.61
    p-tert-butyltoluene 10.46
    methyl 4-tert-butylbenzoate 55.82
    morpholine 252.49
    tert-butylamine 43.55
    n-dodecanol 12.54
    dimethoxymethane 145.53
    ethylene carbonate 64.91
    cyrene 85.54
    2-ethoxyethyl acetate 50.61
    2-ethylhexyl acetate 28.9
    1,2,4-trichlorobenzene 52.93
    4-methylpyridine 106.67
    dibutyl ether 21.72
    2,6-dimethyl-4-heptanol 14.83
    DEF 94.59
    dimethyl isosorbide 124.25
    tetrachloroethylene 69.82
    eugenol 65.69
    triacetin 61.32
    span 80 51.78
    1,4-butanediol 56.94
    1,1-dichloroethane 87.65
    2-methyl-1-pentanol 46.97
    methyl formate 133.52
    2-methyl-1-butanol 47.85
    n-decane 1.61
    butyronitrile 68.32
    3,7-dimethyl-1-octanol 23.87
    1-chlorooctane 9.38
    1-chlorotetradecane 4.82
    n-nonane 1.25
    undecane 1.35
    tert-butylcyclohexane 2.12
    cyclooctane 0.29
    cyclopentanol 44.45
    tetrahydropyran 78.74
    tert-amyl methyl ether 41.27
    2,5,8-trioxanonane 150.27
    1-hexene 6.2
    2-isopropoxyethanol 107.45
    2,2,2-trifluoroethanol 63.99
    methyl butyrate 85.04

    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
Jasmine azoricum concrete Jasminum azoricum L., fam. Oleaceae 0.1%