7-Methyloctan-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1482-13-9

    Molecular formula
    C9H18O

    SMILES
    CC(C)CCCCC(=O)C

  • Odor profile

    Herbal 73.09%
    Fruity 68.54%
    Woody 57.16%
    Sweet 56.9%
    Ketonic 54.04%
    Spicy 52.07%
    Fresh 46.43%
    Fatty 42.84%
    Floral 42.78%
    Mint 42.1%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    187°C

    Flash point est.
    60.28 ˚C

  • Synonyms

    • 7-methyloctan-2-one
    • 1482-13-9
    • 7-methyl-2-octanone
    • starbld0044209
    • SCHEMBL290187
    • 7-Methyloctan-2-one, 97%
    • DTXSID101037023
    • MFCD11553486
    • AKOS006324126

  • Applications

    7-Methyloctan-2-one is a branched C9 aliphatic ketone used mainly as a fragrance modulator and aroma intermediate at trace levels in fine fragrances, personal care, and household products, contributing green, waxy, fruity–citrus and slightly fatty nuances characteristic of aliphatic ketones; additionally, its moderate polarity and mid-range boiling point make it a useful co-solvent for dissolving resins, waxes, and oils in coatings, inks, and adhesives to improve flow, open time, and film formation, and it can serve in cleaning/degreasing formulations; in laboratories and analytics, it is employed as a model compound/reference for GC/FID or HS–GC/MS to calibrate retention indices, probe volatility behavior, and study enolization/aldol reactivity of secondary ketones; synthetically, 7-methyloctan-2-one acts as an electrophile for nucleophilic additions (e.g., Grignard, cyanohydrin), can be converted to oximes/amines via reductive amination, reduced to the corresponding alcohol, or subjected to oxidation/rearrangement (e.g., Baeyer–Villiger) to give esters, thereby expanding access to fragrance ingredients, fine chemical intermediates, branched surfactant alcohols, or lubricant additives; specific uses depend on purity targets, desired odor profile, and applicable compliance (e.g., IFRA/REACH), so it is often applied in research, pilot, or specialized formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4782.4
    methanol 5617.44
    isopropanol 4284.56
    water 3.94
    ethyl acetate 2899.03
    n-propanol 4137.47
    acetone 5149.91
    n-butanol 3848.92
    acetonitrile 2603.9
    DMF 3597.05
    toluene 1349.27
    isobutanol 3099.44
    1,4-dioxane 3717.7
    methyl acetate 2523.18
    THF 5195.31
    2-butanone 4055.19
    n-pentanol 2378.36
    sec-butanol 3635.09
    n-hexane 1853.35
    ethylene glycol 927.75
    NMP 3122.74
    cyclohexane 1227.17
    DMSO 3246.24
    n-butyl acetate 2459.0
    n-octanol 1137.52
    chloroform 5548.94
    n-propyl acetate 1924.53
    acetic acid 3372.32
    dichloromethane 3432.18
    cyclohexanone 4630.36
    propylene glycol 1600.35
    isopropyl acetate 2010.24
    DMAc 2791.76
    2-ethoxyethanol 2318.35
    isopentanol 3189.62
    n-heptane 441.08
    ethyl formate 1480.82
    1,2-dichloroethane 2795.5
    n-hexanol 2761.67
    2-methoxyethanol 3919.62
    isobutyl acetate 1256.26
    tetrachloromethane 1727.97
    n-pentyl acetate 1281.36
    transcutol 7118.3
    n-heptanol 993.88
    ethylbenzene 802.83
    MIBK 1835.2
    2-propoxyethanol 3357.33
    tert-butanol 4848.97
    MTBE 4542.16
    2-butoxyethanol 1604.17
    propionic acid 2944.6
    o-xylene 840.1
    formic acid 1176.62
    diethyl ether 3780.89
    m-xylene 899.6
    p-xylene 974.84
    chlorobenzene 1719.98
    dimethyl carbonate 562.99
    n-octane 144.45
    formamide 1195.65
    cyclopentanone 4113.13
    2-pentanone 3249.75
    anisole 1349.87
    cyclopentyl methyl ether 3308.04
    gamma-butyrolactone 3497.06
    1-methoxy-2-propanol 3177.89
    pyridine 2804.73
    3-pentanone 2370.03
    furfural 2744.04
    n-dodecane 75.69
    diethylene glycol 1967.19
    diisopropyl ether 1171.79
    tert-amyl alcohol 4079.01
    acetylacetone 2252.42
    n-hexadecane 88.69
    acetophenone 1089.93
    methyl propionate 1968.02
    isopentyl acetate 2106.68
    trichloroethylene 4801.37
    n-nonanol 898.32
    cyclohexanol 3355.22
    benzyl alcohol 1104.25
    2-ethylhexanol 1510.13
    isooctanol 805.43
    dipropyl ether 1744.9
    1,2-dichlorobenzene 1394.75
    ethyl lactate 737.4
    propylene carbonate 1932.6
    n-methylformamide 2104.28
    2-pentanol 2592.04
    n-pentane 915.71
    1-propoxy-2-propanol 2477.53
    1-methoxy-2-propyl acetate 1767.92
    2-(2-methoxypropoxy) propanol 1344.24
    mesitylene 611.82
    ε-caprolactone 3412.38
    p-cymene 472.26
    epichlorohydrin 3586.98
    1,1,1-trichloroethane 3793.98
    2-aminoethanol 2057.03
    morpholine-4-carbaldehyde 2927.67
    sulfolane 3657.75
    2,2,4-trimethylpentane 427.97
    2-methyltetrahydrofuran 4838.81
    n-hexyl acetate 2011.85
    isooctane 291.04
    2-(2-butoxyethoxy)ethanol 2080.42
    sec-butyl acetate 1465.18
    tert-butyl acetate 2227.92
    decalin 497.36
    glycerin 1737.55
    diglyme 3082.11
    acrylic acid 2166.3
    isopropyl myristate 596.16
    n-butyric acid 3777.59
    acetyl acetate 1420.02
    di(2-ethylhexyl) phthalate 528.41
    ethyl propionate 1551.03
    nitromethane 3566.29
    1,2-diethoxyethane 2271.66
    benzonitrile 1509.1
    trioctyl phosphate 415.06
    1-bromopropane 2562.19
    gamma-valerolactone 4356.58
    n-decanol 602.59
    triethyl phosphate 492.01
    4-methyl-2-pentanol 1312.49
    propionitrile 2488.07
    vinylene carbonate 1597.87
    1,1,2-trichlorotrifluoroethane 3147.67
    DMS 1135.42
    cumene 540.55
    2-octanol 742.37
    2-hexanone 2496.73
    octyl acetate 754.22
    limonene 879.17
    1,2-dimethoxyethane 3489.85
    ethyl orthosilicate 581.97
    tributyl phosphate 580.01
    diacetone alcohol 2247.97
    N,N-dimethylaniline 838.88
    acrylonitrile 2338.53
    aniline 1821.9
    1,3-propanediol 2543.92
    bromobenzene 1693.12
    dibromomethane 2986.34
    1,1,2,2-tetrachloroethane 4638.12
    2-methyl-cyclohexyl acetate 1071.59
    tetrabutyl urea 678.6
    diisobutyl methanol 775.69
    2-phenylethanol 1207.34
    styrene 1033.19
    dioctyl adipate 758.04
    dimethyl sulfate 846.07
    ethyl butyrate 1296.1
    methyl lactate 999.43
    butyl lactate 1077.62
    diethyl carbonate 704.78
    propanediol butyl ether 1720.2
    triethyl orthoformate 970.4
    p-tert-butyltoluene 484.69
    methyl 4-tert-butylbenzoate 918.4
    morpholine 4809.13
    tert-butylamine 3414.02
    n-dodecanol 421.37
    dimethoxymethane 1892.03
    ethylene carbonate 1499.01
    cyrene 962.07
    2-ethoxyethyl acetate 1444.06
    2-ethylhexyl acetate 1617.32
    1,2,4-trichlorobenzene 1630.35
    4-methylpyridine 2960.69
    dibutyl ether 1589.57
    2,6-dimethyl-4-heptanol 775.69
    DEF 2807.27
    dimethyl isosorbide 1591.59
    tetrachloroethylene 3320.38
    eugenol 884.76
    triacetin 1355.48
    span 80 1404.67
    1,4-butanediol 952.47
    1,1-dichloroethane 3581.27
    2-methyl-1-pentanol 2101.29
    methyl formate 1308.54
    2-methyl-1-butanol 3191.34
    n-decane 174.14
    butyronitrile 2825.49
    3,7-dimethyl-1-octanol 1271.05
    1-chlorooctane 760.43
    1-chlorotetradecane 217.16
    n-nonane 198.33
    undecane 109.32
    tert-butylcyclohexane 517.85
    cyclooctane 356.41
    cyclopentanol 3046.6
    tetrahydropyran 4899.56
    tert-amyl methyl ether 2988.13
    2,5,8-trioxanonane 1704.38
    1-hexene 3335.44
    2-isopropoxyethanol 1768.22
    2,2,2-trifluoroethanol 1036.64
    methyl butyrate 2054.15

    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 0.11%