Veratralacetone

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  • Identifiers

    CAS number
    60234-90-4

    Molecular formula
    C12H14O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 87.57%
    Vanilla 74.06%
    Floral 67.93%
    Spicy 66.19%
    Powdery 61.25%
    Balsamic 61.19%
    Woody 58.98%
    Creamy 54.95%
    Warm 40.54%
    Fruity 39.14%

     

    Flavor
    Sweet 77.66%
    Floral 55.92%
    Woody 53.13%
    Powdery 41.16%
    Vanilla 41.09%
    Spicy 39.85%
    Creamy 39.55%
    Spice 37.73%
    Clove 32.22%
    Fruity 31.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.94 (neutral)

    Molecular weight
    206.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 123.5 ˚C est.

  • Synonyms

    • veratralacetone
    • 60234-90-4
    • DBT8CR6TVM
    • NSC-217305
    • NSC-96088
    • RefChem:1100959
    • 15001-27-1
    • 4-(3,4-Dimethoxyphenyl)-3-buten-2-one
    • 3,4-DIMETHOXYBENZYLIDENEACETONE
    • (E)-4-(3,4-dimethoxyphenyl)but-3-en-2-one
    • 3-Buten-2-one, 4-(3,4-dimethoxyphenyl)-
    • (3E)-4-(3,4-dimethoxyphenyl)but-3-en-2-one
    • 3,4-dimethoxybenzalacetone
    • 3-Buten-2-one, 4-(3,4-dimethoxyphenyl)-, (3E)-
    • 4-(3,4-Dimethoxyphenyl)-(3E)-buten-2-one
    • 3-Buten-2-one, 4-(3,4-dimethoxyphenyl)-, (E)-
    • MFCD00014993
    • NSC 96088
    • NSC 217305
    • UNII-DBT8CR6TVM
    • CHEMBL105450
    • SCHEMBL4937158
    • NSC217305
    • SBB057895
    • STL235633
    • AKOS009157875
    • AS-64323
    • SY458810
    • ST50410424
    • H61813
    • 15001-27-1

  • Applications

    Veratralacetone (CAS 60234-90-4) is primarily used as an aroma and fragrance intermediate in the fragrance and flavor industries, serving as a building block for more complex odor compounds and as a precursor in fragrance ingredient synthesis. It may also serve as a starting material in cosmetic fragrance formulations and in industrial manufacturing as a precursor to other aromatic ketones and specialty chemicals. Its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.54
    methanol 107.93
    isopropanol 82.6
    water 0.73
    ethyl acetate 353.87
    n-propanol 78.26
    acetone 344.09
    n-butanol 67.53
    acetonitrile 276.49
    DMF 368.77
    toluene 76.57
    isobutanol 63.53
    1,4-dioxane 495.65
    methyl acetate 313.02
    THF 517.7
    2-butanone 229.34
    n-pentanol 65.45
    sec-butanol 89.34
    n-hexane 18.76
    ethylene glycol 76.71
    NMP 244.39
    cyclohexane 33.44
    DMSO 583.41
    n-butyl acetate 124.94
    n-octanol 44.86
    chloroform 715.74
    n-propyl acetate 154.36
    acetic acid 225.62
    dichloromethane 712.68
    cyclohexanone 243.9
    propylene glycol 75.96
    isopropyl acetate 138.78
    DMAc 363.1
    2-ethoxyethanol 228.39
    isopentanol 67.31
    n-heptane 14.93
    ethyl formate 182.61
    1,2-dichloroethane 468.23
    n-hexanol 71.5
    2-methoxyethanol 317.39
    isobutyl acetate 89.26
    tetrachloromethane 102.77
    n-pentyl acetate 72.41
    transcutol 370.67
    n-heptanol 38.19
    ethylbenzene 68.97
    MIBK 101.46
    2-propoxyethanol 173.57
    tert-butanol 208.0
    MTBE 168.96
    2-butoxyethanol 85.72
    propionic acid 142.38
    o-xylene 72.86
    formic acid 90.23
    diethyl ether 202.07
    m-xylene 66.3
    p-xylene 85.18
    chlorobenzene 145.05
    dimethyl carbonate 133.25
    n-octane 9.7
    formamide 170.89
    cyclopentanone 316.58
    2-pentanone 164.39
    anisole 169.79
    cyclopentyl methyl ether 193.56
    gamma-butyrolactone 430.63
    1-methoxy-2-propanol 209.48
    pyridine 229.41
    3-pentanone 155.27
    furfural 344.18
    n-dodecane 9.01
    diethylene glycol 184.31
    diisopropyl ether 57.13
    tert-amyl alcohol 139.5
    acetylacetone 261.7
    n-hexadecane 10.24
    acetophenone 147.92
    methyl propionate 242.19
    isopentyl acetate 109.0
    trichloroethylene 711.07
    n-nonanol 43.07
    cyclohexanol 107.74
    benzyl alcohol 112.68
    2-ethylhexanol 56.03
    isooctanol 35.67
    dipropyl ether 91.35
    1,2-dichlorobenzene 148.05
    ethyl lactate 96.32
    propylene carbonate 217.06
    n-methylformamide 179.36
    2-pentanol 59.92
    n-pentane 11.79
    1-propoxy-2-propanol 111.33
    1-methoxy-2-propyl acetate 151.94
    2-(2-methoxypropoxy) propanol 118.25
    mesitylene 49.42
    ε-caprolactone 231.26
    p-cymene 44.33
    epichlorohydrin 498.45
    1,1,1-trichloroethane 403.59
    2-aminoethanol 86.26
    morpholine-4-carbaldehyde 342.02
    sulfolane 418.5
    2,2,4-trimethylpentane 11.87
    2-methyltetrahydrofuran 293.64
    n-hexyl acetate 100.46
    isooctane 8.76
    2-(2-butoxyethoxy)ethanol 133.24
    sec-butyl acetate 102.24
    tert-butyl acetate 162.47
    decalin 24.1
    glycerin 133.25
    diglyme 284.93
    acrylic acid 142.09
    isopropyl myristate 50.99
    n-butyric acid 156.13
    acetyl acetate 192.49
    di(2-ethylhexyl) phthalate 47.19
    ethyl propionate 154.54
    nitromethane 499.05
    1,2-diethoxyethane 156.82
    benzonitrile 132.18
    trioctyl phosphate 33.81
    1-bromopropane 182.34
    gamma-valerolactone 372.57
    n-decanol 35.77
    triethyl phosphate 81.7
    4-methyl-2-pentanol 40.35
    propionitrile 156.15
    vinylene carbonate 214.48
    1,1,2-trichlorotrifluoroethane 333.99
    DMS 147.05
    cumene 51.43
    2-octanol 32.76
    2-hexanone 123.44
    octyl acetate 59.99
    limonene 59.33
    1,2-dimethoxyethane 386.11
    ethyl orthosilicate 74.11
    tributyl phosphate 47.72
    diacetone alcohol 157.07
    N,N-dimethylaniline 110.67
    acrylonitrile 199.29
    aniline 121.69
    1,3-propanediol 128.04
    bromobenzene 155.6
    dibromomethane 456.21
    1,1,2,2-tetrachloroethane 561.86
    2-methyl-cyclohexyl acetate 96.17
    tetrabutyl urea 61.73
    diisobutyl methanol 41.56
    2-phenylethanol 92.2
    styrene 84.15
    dioctyl adipate 78.32
    dimethyl sulfate 216.61
    ethyl butyrate 118.25
    methyl lactate 121.37
    butyl lactate 60.95
    diethyl carbonate 104.52
    propanediol butyl ether 82.58
    triethyl orthoformate 90.1
    p-tert-butyltoluene 43.85
    methyl 4-tert-butylbenzoate 106.33
    morpholine 419.57
    tert-butylamine 103.45
    n-dodecanol 30.99
    dimethoxymethane 311.23
    ethylene carbonate 181.86
    cyrene 134.91
    2-ethoxyethyl acetate 120.47
    2-ethylhexyl acetate 90.29
    1,2,4-trichlorobenzene 175.43
    4-methylpyridine 206.49
    dibutyl ether 77.3
    2,6-dimethyl-4-heptanol 41.56
    DEF 208.84
    dimethyl isosorbide 192.89
    tetrachloroethylene 340.81
    eugenol 101.52
    triacetin 129.56
    span 80 76.31
    1,4-butanediol 61.23
    1,1-dichloroethane 382.38
    2-methyl-1-pentanol 63.59
    methyl formate 198.74
    2-methyl-1-butanol 61.84
    n-decane 13.96
    butyronitrile 134.15
    3,7-dimethyl-1-octanol 49.2
    1-chlorooctane 46.01
    1-chlorotetradecane 23.82
    n-nonane 13.73
    undecane 10.9
    tert-butylcyclohexane 21.4
    cyclooctane 13.35
    cyclopentanol 122.09
    tetrahydropyran 304.15
    tert-amyl methyl ether 128.05
    2,5,8-trioxanonane 208.19
    1-hexene 55.16
    2-isopropoxyethanol 151.24
    2,2,2-trifluoroethanol 134.02
    methyl butyrate 184.89

    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