1-Propanone, 1-(7-methoxy-1,3-benzodioxol-5-yl)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    19937-86-1

    Molecular formula
    C11H12O4

    SMILES
    CCC(=O)C1=CC2=C(C(=C1)OC)OCO2

    Retention indicies (RI)

    • DB5: 1777.0

  • Odor profile

    Floral 57.43%
    Fruity 56.27%
    Sweet 55.07%
    Vanilla 51.08%
    Powdery 42.02%
    Creamy 36.69%
    Berry 32.93%
    Balsamic 31.33%
    Spicy 28.69%
    Caramellic 28.03%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.95 (neutral)

    Molecular weight
    208.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point est.
    136.73 ˚C

  • Synonyms

    • 19937-86-1
    • Crocatone
    • 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-one
    • Radiatinol methyl ether
    • 1-Propanone, 1-(7-methoxy-1,3-benzodioxol-5-yl)-
    • latifolone
    • 1-(7-Methoxy-2H-1,3-benzodioxol-5-yl)propan-1-one
    • DTXSID10173714
    • 1-(7-Methoxybenzo[d][1,3]dioxol-5-yl)propan-1-one
    • 3,4-Dioxymethylene-5-methoxy-1-(1-oxopropyl)benzene
    • SCHEMBL5743163
    • DTXCID2096205
    • CHEBI:229001
    • STL433245
    • AKOS016347670
    • FS-7856
    • CS-0357911
    • 3'-methoxy-4',5'-methylenedioxypropiophenone
    • Q67879984

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.02
    methanol 62.21
    isopropanol 26.11
    water 2.2
    ethyl acetate 137.7
    n-propanol 24.67
    acetone 199.71
    n-butanol 25.62
    acetonitrile 192.43
    DMF 264.58
    toluene 53.9
    isobutanol 22.39
    1,4-dioxane 209.35
    methyl acetate 171.96
    THF 186.94
    2-butanone 104.34
    n-pentanol 22.43
    sec-butanol 23.45
    n-hexane 1.07
    ethylene glycol 48.57
    NMP 248.43
    cyclohexane 5.15
    DMSO 271.65
    n-butyl acetate 67.88
    n-octanol 22.21
    chloroform 328.08
    n-propyl acetate 87.31
    acetic acid 205.46
    dichloromethane 399.23
    cyclohexanone 157.52
    propylene glycol 19.88
    isopropyl acetate 84.91
    DMAc 255.43
    2-ethoxyethanol 107.21
    isopentanol 33.57
    n-heptane 2.0
    ethyl formate 117.88
    1,2-dichloroethane 232.53
    n-hexanol 25.36
    2-methoxyethanol 181.46
    isobutyl acetate 55.45
    tetrachloromethane 40.48
    n-pentyl acetate 46.19
    transcutol 219.88
    n-heptanol 20.73
    ethylbenzene 32.38
    MIBK 58.35
    2-propoxyethanol 88.9
    tert-butanol 60.34
    MTBE 43.49
    2-butoxyethanol 64.78
    propionic acid 76.74
    o-xylene 43.82
    formic acid 137.87
    diethyl ether 43.17
    m-xylene 39.1
    p-xylene 51.94
    chlorobenzene 117.23
    dimethyl carbonate 121.96
    n-octane 1.84
    formamide 273.99
    cyclopentanone 209.68
    2-pentanone 78.32
    anisole 101.97
    cyclopentyl methyl ether 66.77
    gamma-butyrolactone 303.96
    1-methoxy-2-propanol 88.15
    pyridine 217.43
    3-pentanone 70.68
    furfural 353.07
    n-dodecane 2.76
    diethylene glycol 131.95
    diisopropyl ether 16.79
    tert-amyl alcohol 43.33
    acetylacetone 194.41
    n-hexadecane 3.22
    acetophenone 120.32
    methyl propionate 105.07
    isopentyl acetate 68.18
    trichloroethylene 492.68
    n-nonanol 22.46
    cyclohexanol 43.41
    benzyl alcohol 88.72
    2-ethylhexanol 24.35
    isooctanol 20.78
    dipropyl ether 22.98
    1,2-dichlorobenzene 124.78
    ethyl lactate 54.92
    propylene carbonate 174.94
    n-methylformamide 158.97
    2-pentanol 18.51
    n-pentane 1.11
    1-propoxy-2-propanol 50.55
    1-methoxy-2-propyl acetate 85.47
    2-(2-methoxypropoxy) propanol 81.45
    mesitylene 25.51
    ε-caprolactone 144.09
    p-cymene 23.87
    epichlorohydrin 310.22
    1,1,1-trichloroethane 173.71
    2-aminoethanol 41.81
    morpholine-4-carbaldehyde 288.79
    sulfolane 286.34
    2,2,4-trimethylpentane 2.17
    2-methyltetrahydrofuran 107.64
    n-hexyl acetate 62.45
    isooctane 1.45
    2-(2-butoxyethoxy)ethanol 88.94
    sec-butyl acetate 58.12
    tert-butyl acetate 87.48
    decalin 5.12
    glycerin 72.11
    diglyme 214.28
    acrylic acid 112.59
    isopropyl myristate 31.91
    n-butyric acid 95.78
    acetyl acetate 163.61
    di(2-ethylhexyl) phthalate 42.71
    ethyl propionate 77.84
    nitromethane 481.8
    1,2-diethoxyethane 67.26
    benzonitrile 133.16
    trioctyl phosphate 27.69
    1-bromopropane 50.11
    gamma-valerolactone 275.17
    n-decanol 18.38
    triethyl phosphate 49.97
    4-methyl-2-pentanol 18.93
    propionitrile 92.88
    vinylene carbonate 196.39
    1,1,2-trichlorotrifluoroethane 229.65
    DMS 100.89
    cumene 24.4
    2-octanol 15.3
    2-hexanone 59.96
    octyl acetate 38.29
    limonene 27.04
    1,2-dimethoxyethane 186.07
    ethyl orthosilicate 43.16
    tributyl phosphate 34.84
    diacetone alcohol 88.87
    N,N-dimethylaniline 63.86
    acrylonitrile 172.13
    aniline 87.06
    1,3-propanediol 70.68
    bromobenzene 118.28
    dibromomethane 166.57
    1,1,2,2-tetrachloroethane 272.96
    2-methyl-cyclohexyl acetate 59.62
    tetrabutyl urea 45.44
    diisobutyl methanol 18.83
    2-phenylethanol 70.72
    styrene 44.2
    dioctyl adipate 52.42
    dimethyl sulfate 178.37
    ethyl butyrate 62.57
    methyl lactate 77.01
    butyl lactate 40.38
    diethyl carbonate 64.06
    propanediol butyl ether 48.05
    triethyl orthoformate 48.7
    p-tert-butyltoluene 21.52
    methyl 4-tert-butylbenzoate 83.12
    morpholine 154.33
    tert-butylamine 27.35
    n-dodecanol 15.66
    dimethoxymethane 171.93
    ethylene carbonate 152.55
    cyrene 102.72
    2-ethoxyethyl acetate 80.9
    2-ethylhexyl acetate 53.58
    1,2,4-trichlorobenzene 143.58
    4-methylpyridine 169.38
    dibutyl ether 26.84
    2,6-dimethyl-4-heptanol 18.83
    DEF 117.43
    dimethyl isosorbide 139.6
    tetrachloroethylene 207.5
    eugenol 84.95
    triacetin 95.44
    span 80 50.67
    1,4-butanediol 31.3
    1,1-dichloroethane 151.99
    2-methyl-1-pentanol 30.86
    methyl formate 200.15
    2-methyl-1-butanol 27.11
    n-decane 3.73
    butyronitrile 68.86
    3,7-dimethyl-1-octanol 26.86
    1-chlorooctane 18.3
    1-chlorotetradecane 9.86
    n-nonane 2.98
    undecane 3.12
    tert-butylcyclohexane 4.03
    cyclooctane 2.1
    cyclopentanol 49.43
    tetrahydropyran 84.38
    tert-amyl methyl ether 36.57
    2,5,8-trioxanonane 148.1
    1-hexene 6.41
    2-isopropoxyethanol 71.96
    2,2,2-trifluoroethanol 148.59
    methyl butyrate 97.61

    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
Thapsia garganica root Thapsia garganica L., fam. Apiaceae (Umbelliferae) 26.0%