Vanillyl Methyl Ketone-d5

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  • Identifiers

    CAS number
    1794811-86-1

    Molecular formula
    C10H12O3

    SMILES
    [2H]C([2H])([2H])C(=O)C([2H])([2H])C1=CC(=C(C=C1)O)OC

  • Odor profile

    Odorless 53.16%
    Sweet 37.75%
    Balsamic 26.62%
    Woody 23.51%
    Powdery 23.18%
    Dry 22.34%
    Milky 22.28%
    Cooling 21.52%
    Musk 21.33%
    Vanilla 19.25%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    185.23 g/mol

    Flash point est.
    138.33 ˚C

  • Synonyms

    • Vanillyl Methyl Ketone-d5
    • 1794811-86-1
    • VanillylMethylKetone-d5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 300.88
    methanol 395.83
    isopropanol 197.05
    water 6.33
    ethyl acetate 92.49
    n-propanol 217.03
    acetone 255.3
    n-butanol 140.44
    acetonitrile 91.55
    DMF 648.95
    toluene 15.35
    isobutanol 115.32
    1,4-dioxane 177.73
    methyl acetate 127.79
    THF 566.95
    2-butanone 158.8
    n-pentanol 92.3
    sec-butanol 154.25
    n-hexane 5.05
    ethylene glycol 170.88
    NMP 375.72
    cyclohexane 3.58
    DMSO 847.8
    n-butyl acetate 48.51
    n-octanol 32.04
    chloroform 85.02
    n-propyl acetate 61.36
    acetic acid 255.01
    dichloromethane 98.11
    cyclohexanone 141.53
    propylene glycol 177.6
    isopropyl acetate 56.06
    DMAc 425.7
    2-ethoxyethanol 274.19
    isopentanol 98.13
    n-heptane 2.35
    ethyl formate 89.64
    1,2-dichloroethane 96.71
    n-hexanol 80.88
    2-methoxyethanol 464.76
    isobutyl acetate 29.98
    tetrachloromethane 18.5
    n-pentyl acetate 25.4
    transcutol 419.38
    n-heptanol 30.61
    ethylbenzene 14.85
    MIBK 68.68
    2-propoxyethanol 180.16
    tert-butanol 267.05
    MTBE 115.64
    2-butoxyethanol 73.37
    propionic acid 156.01
    o-xylene 18.21
    formic acid 339.97
    diethyl ether 104.41
    m-xylene 16.04
    p-xylene 13.71
    chlorobenzene 25.85
    dimethyl carbonate 80.61
    n-octane 1.1
    formamide 464.12
    cyclopentanone 254.14
    2-pentanone 112.55
    anisole 70.02
    cyclopentyl methyl ether 137.72
    gamma-butyrolactone 315.04
    1-methoxy-2-propanol 304.94
    pyridine 78.43
    3-pentanone 79.93
    furfural 204.53
    n-dodecane 0.97
    diethylene glycol 214.68
    diisopropyl ether 22.37
    tert-amyl alcohol 187.24
    acetylacetone 134.04
    n-hexadecane 1.09
    acetophenone 63.82
    methyl propionate 112.8
    isopentyl acetate 44.52
    trichloroethylene 157.6
    n-nonanol 26.85
    cyclohexanol 86.86
    benzyl alcohol 65.51
    2-ethylhexanol 33.39
    isooctanol 23.2
    dipropyl ether 30.16
    1,2-dichlorobenzene 31.8
    ethyl lactate 63.99
    propylene carbonate 126.79
    n-methylformamide 359.83
    2-pentanol 87.85
    n-pentane 4.23
    1-propoxy-2-propanol 100.27
    1-methoxy-2-propyl acetate 80.73
    2-(2-methoxypropoxy) propanol 95.66
    mesitylene 10.43
    ε-caprolactone 133.94
    p-cymene 11.11
    epichlorohydrin 329.45
    1,1,1-trichloroethane 53.3
    2-aminoethanol 244.21
    morpholine-4-carbaldehyde 300.39
    sulfolane 427.49
    2,2,4-trimethylpentane 4.01
    2-methyltetrahydrofuran 238.51
    n-hexyl acetate 49.47
    isooctane 2.7
    2-(2-butoxyethoxy)ethanol 125.29
    sec-butyl acetate 37.95
    tert-butyl acetate 85.89
    decalin 3.5
    glycerin 276.42
    diglyme 217.12
    acrylic acid 161.61
    isopropyl myristate 17.08
    n-butyric acid 126.41
    acetyl acetate 52.51
    di(2-ethylhexyl) phthalate 23.69
    ethyl propionate 62.53
    nitromethane 387.84
    1,2-diethoxyethane 63.26
    benzonitrile 38.48
    trioctyl phosphate 18.25
    1-bromopropane 41.0
    gamma-valerolactone 284.22
    n-decanol 18.94
    triethyl phosphate 32.29
    4-methyl-2-pentanol 46.0
    propionitrile 73.44
    vinylene carbonate 94.07
    1,1,2-trichlorotrifluoroethane 241.8
    DMS 58.35
    cumene 12.71
    2-octanol 18.54
    2-hexanone 67.06
    octyl acetate 23.91
    limonene 17.16
    1,2-dimethoxyethane 305.68
    ethyl orthosilicate 29.04
    tributyl phosphate 23.51
    diacetone alcohol 153.07
    N,N-dimethylaniline 48.4
    acrylonitrile 99.89
    aniline 52.94
    1,3-propanediol 248.64
    bromobenzene 18.25
    dibromomethane 55.45
    1,1,2,2-tetrachloroethane 126.66
    2-methyl-cyclohexyl acetate 42.46
    tetrabutyl urea 33.79
    diisobutyl methanol 18.9
    2-phenylethanol 56.36
    styrene 15.33
    dioctyl adipate 31.98
    dimethyl sulfate 176.64
    ethyl butyrate 41.08
    methyl lactate 107.54
    butyl lactate 42.4
    diethyl carbonate 33.65
    propanediol butyl ether 99.86
    triethyl orthoformate 34.54
    p-tert-butyltoluene 11.4
    methyl 4-tert-butylbenzoate 59.61
    morpholine 292.91
    tert-butylamine 111.25
    n-dodecanol 13.26
    dimethoxymethane 302.6
    ethylene carbonate 82.42
    cyrene 113.13
    2-ethoxyethyl acetate 52.16
    2-ethylhexyl acetate 32.66
    1,2,4-trichlorobenzene 43.64
    4-methylpyridine 80.23
    dibutyl ether 22.55
    2,6-dimethyl-4-heptanol 18.9
    DEF 140.69
    dimethyl isosorbide 145.08
    tetrachloroethylene 87.58
    eugenol 59.42
    triacetin 60.12
    span 80 64.33
    1,4-butanediol 108.41
    1,1-dichloroethane 62.87
    2-methyl-1-pentanol 70.2
    methyl formate 237.78
    2-methyl-1-butanol 101.14
    n-decane 1.79
    butyronitrile 61.29
    3,7-dimethyl-1-octanol 28.82
    1-chlorooctane 11.06
    1-chlorotetradecane 3.78
    n-nonane 1.65
    undecane 1.29
    tert-butylcyclohexane 3.98
    cyclooctane 1.48
    cyclopentanol 141.99
    tetrahydropyran 148.9
    tert-amyl methyl ether 90.65
    2,5,8-trioxanonane 147.34
    1-hexene 20.2
    2-isopropoxyethanol 137.11
    2,2,2-trifluoroethanol 140.91
    methyl butyrate 82.44

    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