2-Octanone, 8-(3,4-methylenedioxyphenyl)

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H20O3

    SMILES
    CC(=O)CCCCCCC1=CC2=C(C=C1)OCO2

  • Odor profile

    Floral 79.47%
    Fruity 56.41%
    Sweet 55.97%
    Woody 47.15%
    Spicy 40.65%
    Powdery 38.06%
    Balsamic 37.98%
    Jasmin 36.21%
    Fresh 34.02%
    Waxy 31.63%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point est.
    149.71 ˚C

  • Synonyms

    • 8-(1,3-benzodioxol-5-yl)octan-2-one
    • 2-Octanone, 8-(3,4-methylenedioxyphenyl)
    • 105317-66-6
    • DBBLBCCPXKEKRW-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 566.56
    methanol 800.35
    isopropanol 346.25
    water 0.26
    ethyl acetate 616.94
    n-propanol 394.78
    acetone 508.4
    n-butanol 292.58
    acetonitrile 569.24
    DMF 365.47
    toluene 114.2
    isobutanol 218.14
    1,4-dioxane 1090.63
    methyl acetate 473.34
    THF 704.83
    2-butanone 376.37
    n-pentanol 215.99
    sec-butanol 245.35
    n-hexane 4.46
    ethylene glycol 156.55
    NMP 176.31
    cyclohexane 16.25
    DMSO 800.64
    n-butyl acetate 213.6
    n-octanol 56.37
    chloroform 1338.22
    n-propyl acetate 278.91
    acetic acid 456.6
    dichloromethane 1240.11
    cyclohexanone 385.16
    propylene glycol 243.17
    isopropyl acetate 301.34
    DMAc 422.32
    2-ethoxyethanol 649.55
    isopentanol 225.9
    n-heptane 3.82
    ethyl formate 260.1
    1,2-dichloroethane 727.8
    n-hexanol 134.03
    2-methoxyethanol 876.0
    isobutyl acetate 195.35
    tetrachloromethane 75.23
    n-pentyl acetate 114.05
    transcutol 1822.97
    n-heptanol 52.32
    ethylbenzene 62.17
    MIBK 195.94
    2-propoxyethanol 392.15
    tert-butanol 334.07
    MTBE 257.7
    2-butoxyethanol 173.79
    propionic acid 274.54
    o-xylene 65.07
    formic acid 187.03
    diethyl ether 399.84
    m-xylene 73.66
    p-xylene 79.68
    chlorobenzene 195.65
    dimethyl carbonate 160.72
    n-octane 3.16
    formamide 344.85
    cyclopentanone 365.78
    2-pentanone 299.92
    anisole 225.46
    cyclopentyl methyl ether 229.9
    gamma-butyrolactone 426.53
    1-methoxy-2-propanol 556.24
    pyridine 440.82
    3-pentanone 206.58
    furfural 414.06
    n-dodecane 4.86
    diethylene glycol 439.05
    diisopropyl ether 72.75
    tert-amyl alcohol 201.62
    acetylacetone 418.71
    n-hexadecane 5.61
    acetophenone 194.54
    methyl propionate 342.5
    isopentyl acetate 197.32
    trichloroethylene 1080.82
    n-nonanol 56.07
    cyclohexanol 191.37
    benzyl alcohol 185.64
    2-ethylhexanol 72.47
    isooctanol 50.02
    dipropyl ether 85.72
    1,2-dichlorobenzene 188.5
    ethyl lactate 143.28
    propylene carbonate 284.33
    n-methylformamide 270.28
    2-pentanol 155.97
    n-pentane 4.23
    1-propoxy-2-propanol 221.42
    1-methoxy-2-propyl acetate 278.22
    2-(2-methoxypropoxy) propanol 238.34
    mesitylene 46.58
    ε-caprolactone 371.21
    p-cymene 38.7
    epichlorohydrin 795.96
    1,1,1-trichloroethane 405.22
    2-aminoethanol 305.9
    morpholine-4-carbaldehyde 451.15
    sulfolane 360.76
    2,2,4-trimethylpentane 5.99
    2-methyltetrahydrofuran 412.9
    n-hexyl acetate 157.37
    isooctane 5.11
    2-(2-butoxyethoxy)ethanol 361.03
    sec-butyl acetate 195.19
    tert-butyl acetate 245.09
    decalin 10.73
    glycerin 301.31
    diglyme 661.27
    acrylic acid 223.6
    isopropyl myristate 71.64
    n-butyric acid 396.0
    acetyl acetate 316.37
    di(2-ethylhexyl) phthalate 77.8
    ethyl propionate 219.49
    nitromethane 786.45
    1,2-diethoxyethane 418.97
    benzonitrile 210.85
    trioctyl phosphate 48.81
    1-bromopropane 277.54
    gamma-valerolactone 569.75
    n-decanol 44.19
    triethyl phosphate 85.35
    4-methyl-2-pentanol 94.81
    propionitrile 337.42
    vinylene carbonate 265.29
    1,1,2-trichlorotrifluoroethane 465.0
    DMS 208.22
    cumene 44.3
    2-octanol 37.25
    2-hexanone 214.2
    octyl acetate 84.14
    limonene 48.18
    1,2-dimethoxyethane 730.8
    ethyl orthosilicate 81.36
    tributyl phosphate 72.5
    diacetone alcohol 260.47
    N,N-dimethylaniline 105.49
    acrylonitrile 369.52
    aniline 191.77
    1,3-propanediol 427.2
    bromobenzene 214.84
    dibromomethane 661.55
    1,1,2,2-tetrachloroethane 872.12
    2-methyl-cyclohexyl acetate 124.65
    tetrabutyl urea 85.25
    diisobutyl methanol 48.45
    2-phenylethanol 145.04
    styrene 88.16
    dioctyl adipate 115.47
    dimethyl sulfate 187.44
    ethyl butyrate 145.78
    methyl lactate 170.46
    butyl lactate 111.89
    diethyl carbonate 126.75
    propanediol butyl ether 184.46
    triethyl orthoformate 117.47
    p-tert-butyltoluene 35.14
    methyl 4-tert-butylbenzoate 141.48
    morpholine 1077.47
    tert-butylamine 148.98
    n-dodecanol 37.09
    dimethoxymethane 516.03
    ethylene carbonate 265.1
    cyrene 166.49
    2-ethoxyethyl acetate 259.81
    2-ethylhexyl acetate 144.94
    1,2,4-trichlorobenzene 213.02
    4-methylpyridine 308.44
    dibutyl ether 106.65
    2,6-dimethyl-4-heptanol 48.45
    DEF 299.63
    dimethyl isosorbide 291.33
    tetrachloroethylene 475.87
    eugenol 153.74
    triacetin 230.96
    span 80 156.45
    1,4-butanediol 192.5
    1,1-dichloroethane 598.68
    2-methyl-1-pentanol 172.13
    methyl formate 201.67
    2-methyl-1-butanol 190.3
    n-decane 7.23
    butyronitrile 295.34
    3,7-dimethyl-1-octanol 75.49
    1-chlorooctane 41.15
    1-chlorotetradecane 19.56
    n-nonane 5.79
    undecane 5.68
    tert-butylcyclohexane 8.99
    cyclooctane 4.71
    cyclopentanol 182.49
    tetrahydropyran 598.85
    tert-amyl methyl ether 148.09
    2,5,8-trioxanonane 469.35
    1-hexene 38.41
    2-isopropoxyethanol 368.02
    2,2,2-trifluoroethanol 158.02
    methyl butyrate 266.28

    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
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 2.98%