7-Methyl-4-octanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    20809-46-5

    Molecular formula
    C9H18O

    SMILES
    CCCC(=O)CCC(C)C

    Retention indicies (RI)

    • Carbowax: 1968.0

  • Odor profile

    Fruity 86.61%
    Herbal 76.29%
    Ketonic 47.68%
    Sweet 44.04%
    Mint 42.9%
    Green 40.63%
    Cheesy 40.41%
    Oily 36.75%
    Spicy 35.59%
    Earthy 30.86%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point est.
    57.11 ˚C

  • Synonyms

    • 7-METHYL-4-OCTANONE
    • 7-methyloctan-4-one
    • 20809-46-5
    • 4-Octanone, 7-methyl-
    • FEV9GYV2W4
    • DTXSID20174919
    • ISOAMYL N-PROPYL KETONE
    • 7-methyl-octan-4-one
    • UNII-FEV9GYV2W4
    • SCHEMBL109486
    • DTXCID9097410

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2125.09
    methanol 1954.43
    isopropanol 2433.27
    water 1.43
    ethyl acetate 853.79
    n-propanol 1879.72
    acetone 1353.79
    n-butanol 1947.92
    acetonitrile 1005.85
    DMF 1215.66
    toluene 556.13
    isobutanol 1545.67
    1,4-dioxane 1710.14
    methyl acetate 766.74
    THF 2189.27
    2-butanone 1093.66
    n-pentanol 1242.5
    sec-butanol 1890.17
    n-hexane 928.07
    ethylene glycol 301.2
    NMP 938.43
    cyclohexane 810.73
    DMSO 785.19
    n-butyl acetate 1362.81
    n-octanol 784.12
    chloroform 3769.7
    n-propyl acetate 614.71
    acetic acid 1118.76
    dichloromethane 1978.41
    cyclohexanone 1791.59
    propylene glycol 642.41
    isopropyl acetate 657.86
    DMAc 858.7
    2-ethoxyethanol 819.23
    isopentanol 1656.23
    n-heptane 480.09
    ethyl formate 631.64
    1,2-dichloroethane 1121.45
    n-hexanol 2092.11
    2-methoxyethanol 1402.2
    isobutyl acetate 515.16
    tetrachloromethane 732.84
    n-pentyl acetate 701.15
    transcutol 2163.35
    n-heptanol 797.1
    ethylbenzene 434.21
    MIBK 677.72
    2-propoxyethanol 1628.45
    tert-butanol 2518.41
    MTBE 1599.91
    2-butoxyethanol 930.49
    propionic acid 995.16
    o-xylene 391.85
    formic acid 255.35
    diethyl ether 1211.41
    m-xylene 419.73
    p-xylene 569.73
    chlorobenzene 845.02
    dimethyl carbonate 169.27
    n-octane 167.61
    formamide 232.5
    cyclopentanone 1494.71
    2-pentanone 934.25
    anisole 623.78
    cyclopentyl methyl ether 1065.8
    gamma-butyrolactone 1231.89
    1-methoxy-2-propanol 1220.2
    pyridine 1434.27
    3-pentanone 580.58
    furfural 1231.64
    n-dodecane 111.03
    diethylene glycol 850.11
    diisopropyl ether 441.03
    tert-amyl alcohol 1798.9
    acetylacetone 683.67
    n-hexadecane 123.85
    acetophenone 546.25
    methyl propionate 507.68
    isopentyl acetate 1271.63
    trichloroethylene 2191.12
    n-nonanol 649.19
    cyclohexanol 1639.05
    benzyl alcohol 591.02
    2-ethylhexanol 1138.39
    isooctanol 637.42
    dipropyl ether 1013.23
    1,2-dichlorobenzene 703.82
    ethyl lactate 325.9
    propylene carbonate 892.54
    n-methylformamide 585.26
    2-pentanol 1406.42
    n-pentane 559.0
    1-propoxy-2-propanol 1384.64
    1-methoxy-2-propyl acetate 781.43
    2-(2-methoxypropoxy) propanol 697.51
    mesitylene 310.03
    ε-caprolactone 1343.75
    p-cymene 360.65
    epichlorohydrin 1339.54
    1,1,1-trichloroethane 1585.15
    2-aminoethanol 756.42
    morpholine-4-carbaldehyde 1105.65
    sulfolane 1177.33
    2,2,4-trimethylpentane 206.99
    2-methyltetrahydrofuran 1800.93
    n-hexyl acetate 1020.07
    isooctane 184.31
    2-(2-butoxyethoxy)ethanol 939.74
    sec-butyl acetate 502.06
    tert-butyl acetate 698.89
    decalin 295.14
    glycerin 604.91
    diglyme 1422.41
    acrylic acid 733.85
    isopropyl myristate 400.38
    n-butyric acid 1727.91
    acetyl acetate 460.77
    di(2-ethylhexyl) phthalate 351.72
    ethyl propionate 460.03
    nitromethane 909.54
    1,2-diethoxyethane 928.64
    benzonitrile 974.74
    trioctyl phosphate 270.1
    1-bromopropane 1194.66
    gamma-valerolactone 1681.15
    n-decanol 466.24
    triethyl phosphate 285.2
    4-methyl-2-pentanol 778.3
    propionitrile 1093.55
    vinylene carbonate 760.34
    1,1,2-trichlorotrifluoroethane 1146.65
    DMS 451.21
    cumene 338.25
    2-octanol 599.4
    2-hexanone 876.78
    octyl acetate 470.46
    limonene 597.06
    1,2-dimethoxyethane 1459.79
    ethyl orthosilicate 313.89
    tributyl phosphate 333.81
    diacetone alcohol 796.02
    N,N-dimethylaniline 447.18
    acrylonitrile 1004.67
    aniline 721.06
    1,3-propanediol 1082.39
    bromobenzene 860.74
    dibromomethane 1676.13
    1,1,2,2-tetrachloroethane 2118.67
    2-methyl-cyclohexyl acetate 592.8
    tetrabutyl urea 388.6
    diisobutyl methanol 588.28
    2-phenylethanol 795.41
    styrene 520.52
    dioctyl adipate 483.82
    dimethyl sulfate 242.42
    ethyl butyrate 710.21
    methyl lactate 350.2
    butyl lactate 572.31
    diethyl carbonate 423.03
    propanediol butyl ether 913.83
    triethyl orthoformate 538.14
    p-tert-butyltoluene 355.84
    methyl 4-tert-butylbenzoate 532.5
    morpholine 2082.3
    tert-butylamine 1801.35
    n-dodecanol 353.75
    dimethoxymethane 559.46
    ethylene carbonate 702.43
    cyrene 460.24
    2-ethoxyethyl acetate 638.4
    2-ethylhexyl acetate 947.09
    1,2,4-trichlorobenzene 797.23
    4-methylpyridine 1411.93
    dibutyl ether 878.15
    2,6-dimethyl-4-heptanol 588.28
    DEF 852.6
    dimethyl isosorbide 849.45
    tetrachloroethylene 1428.43
    eugenol 543.58
    triacetin 648.05
    span 80 802.42
    1,4-butanediol 454.5
    1,1-dichloroethane 1780.44
    2-methyl-1-pentanol 1045.55
    methyl formate 384.84
    2-methyl-1-butanol 1383.32
    n-decane 202.38
    butyronitrile 1513.54
    3,7-dimethyl-1-octanol 818.46
    1-chlorooctane 548.41
    1-chlorotetradecane 214.55
    n-nonane 221.3
    undecane 143.8
    tert-butylcyclohexane 305.57
    cyclooctane 238.13
    cyclopentanol 1502.16
    tetrahydropyran 2294.14
    tert-amyl methyl ether 964.17
    2,5,8-trioxanonane 888.14
    1-hexene 1577.07
    2-isopropoxyethanol 716.64
    2,2,2-trifluoroethanol 286.61
    methyl butyrate 747.3

    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
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.3%