6-Methyl-6-(3-methylphenyl)-heptan-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    CCC(=O)CCC(C)(C)c1cccc(C)c1

    Retention indicies (RI)

    • DB5: 1630.0

  • Odor profile

    Floral 78.22%
    Woody 61.74%
    Dry 38.96%
    Green 35.3%
    Powdery 34.99%
    Orris 34.66%
    Lily 34.5%
    Fruity 34.46%
    Rose 33.29%
    Sweet 32.84%

    Scent© AI

  • Properties

    pKa est.
    8.65 (weak base)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point est.
    123.28 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 963.59
    methanol 667.98
    isopropanol 969.3
    water 0.53
    ethyl acetate 1649.54
    n-propanol 866.63
    acetone 1400.96
    n-butanol 791.08
    acetonitrile 956.74
    DMF 1456.83
    toluene 661.67
    isobutanol 629.89
    1,4-dioxane 2110.4
    methyl acetate 1451.66
    THF 1826.02
    2-butanone 1534.91
    n-pentanol 549.05
    sec-butanol 721.81
    n-hexane 128.47
    ethylene glycol 107.85
    NMP 609.68
    cyclohexane 143.85
    DMSO 611.15
    n-butyl acetate 1147.18
    n-octanol 358.99
    chloroform 2494.04
    n-propyl acetate 826.38
    acetic acid 363.13
    dichloromethane 2108.25
    cyclohexanone 1444.37
    propylene glycol 255.41
    isopropyl acetate 948.86
    DMAc 1275.83
    2-ethoxyethanol 718.8
    isopentanol 664.61
    n-heptane 79.48
    ethyl formate 712.24
    1,2-dichloroethane 1320.91
    n-hexanol 861.15
    2-methoxyethanol 1007.96
    isobutyl acetate 646.22
    tetrachloromethane 317.72
    n-pentyl acetate 502.84
    transcutol 2007.29
    n-heptanol 342.61
    ethylbenzene 497.68
    MIBK 654.69
    2-propoxyethanol 1166.53
    tert-butanol 1085.27
    MTBE 1285.25
    2-butoxyethanol 556.86
    propionic acid 495.05
    o-xylene 426.42
    formic acid 84.14
    diethyl ether 1267.1
    m-xylene 461.53
    p-xylene 602.57
    chlorobenzene 763.21
    dimethyl carbonate 366.27
    n-octane 48.36
    formamide 181.36
    cyclopentanone 1360.47
    2-pentanone 1084.1
    anisole 911.41
    cyclopentyl methyl ether 782.61
    gamma-butyrolactone 1184.15
    1-methoxy-2-propanol 908.55
    pyridine 1196.38
    3-pentanone 911.52
    furfural 1019.87
    n-dodecane 39.41
    diethylene glycol 556.94
    diisopropyl ether 347.02
    tert-amyl alcohol 744.07
    acetylacetone 1072.39
    n-hexadecane 46.11
    acetophenone 688.9
    methyl propionate 956.34
    isopentyl acetate 1015.46
    trichloroethylene 2253.0
    n-nonanol 314.87
    cyclohexanol 567.71
    benzyl alcohol 537.82
    2-ethylhexanol 492.25
    isooctanol 286.73
    dipropyl ether 629.03
    1,2-dichlorobenzene 664.85
    ethyl lactate 298.22
    propylene carbonate 758.73
    n-methylformamide 505.78
    2-pentanol 552.26
    n-pentane 72.27
    1-propoxy-2-propanol 864.46
    1-methoxy-2-propyl acetate 912.67
    2-(2-methoxypropoxy) propanol 499.02
    mesitylene 277.52
    ε-caprolactone 1106.76
    p-cymene 243.26
    epichlorohydrin 1601.9
    1,1,1-trichloroethane 1364.48
    2-aminoethanol 296.63
    morpholine-4-carbaldehyde 1162.36
    sulfolane 828.52
    2,2,4-trimethylpentane 53.04
    2-methyltetrahydrofuran 1260.25
    n-hexyl acetate 771.72
    isooctane 48.05
    2-(2-butoxyethoxy)ethanol 705.32
    sec-butyl acetate 644.11
    tert-butyl acetate 859.06
    decalin 108.21
    glycerin 244.7
    diglyme 1271.71
    acrylic acid 329.55
    isopropyl myristate 311.04
    n-butyric acid 825.85
    acetyl acetate 737.52
    di(2-ethylhexyl) phthalate 233.72
    ethyl propionate 720.6
    nitromethane 802.19
    1,2-diethoxyethane 1083.65
    benzonitrile 684.99
    trioctyl phosphate 170.0
    1-bromopropane 920.59
    gamma-valerolactone 1620.74
    n-decanol 242.58
    triethyl phosphate 250.77
    4-methyl-2-pentanol 340.33
    propionitrile 950.3
    vinylene carbonate 748.68
    1,1,2-trichlorotrifluoroethane 722.15
    DMS 618.39
    cumene 321.58
    2-octanol 250.5
    2-hexanone 837.86
    octyl acetate 383.65
    limonene 325.88
    1,2-dimethoxyethane 1432.96
    ethyl orthosilicate 247.76
    tributyl phosphate 233.06
    diacetone alcohol 703.39
    N,N-dimethylaniline 528.77
    acrylonitrile 887.93
    aniline 608.21
    1,3-propanediol 469.34
    bromobenzene 852.96
    dibromomethane 1370.02
    1,1,2,2-tetrachloroethane 1784.83
    2-methyl-cyclohexyl acetate 493.51
    tetrabutyl urea 273.32
    diisobutyl methanol 246.72
    2-phenylethanol 623.62
    styrene 609.03
    dioctyl adipate 382.4
    dimethyl sulfate 405.58
    ethyl butyrate 748.53
    methyl lactate 342.37
    butyl lactate 364.2
    diethyl carbonate 453.17
    propanediol butyl ether 461.49
    triethyl orthoformate 415.53
    p-tert-butyltoluene 240.3
    methyl 4-tert-butylbenzoate 483.6
    morpholine 1921.82
    tert-butylamine 653.9
    n-dodecanol 190.45
    dimethoxymethane 938.69
    ethylene carbonate 678.3
    cyrene 392.84
    2-ethoxyethyl acetate 733.28
    2-ethylhexyl acetate 721.83
    1,2,4-trichlorobenzene 720.6
    4-methylpyridine 1359.87
    dibutyl ether 572.59
    2,6-dimethyl-4-heptanol 246.72
    DEF 1023.98
    dimethyl isosorbide 748.59
    tetrachloroethylene 1001.14
    eugenol 451.09
    triacetin 612.06
    span 80 430.27
    1,4-butanediol 225.25
    1,1-dichloroethane 1583.23
    2-methyl-1-pentanol 491.32
    methyl formate 423.55
    2-methyl-1-butanol 567.72
    n-decane 71.08
    butyronitrile 989.94
    3,7-dimethyl-1-octanol 359.71
    1-chlorooctane 296.03
    1-chlorotetradecane 116.07
    n-nonane 68.99
    undecane 50.96
    tert-butylcyclohexane 109.59
    cyclooctane 50.95
    cyclopentanol 489.09
    tetrahydropyran 1718.14
    tert-amyl methyl ether 725.86
    2,5,8-trioxanonane 788.34
    1-hexene 565.56
    2-isopropoxyethanol 607.98
    2,2,2-trifluoroethanol 141.48
    methyl butyrate 927.57

    Scent© AI

1 3

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
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 0.9%