5-Methyl-2-heptanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18217-12-4

    Molecular formula
    C8H16O

    SMILES
    CCC(C)CCC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 78.51%
    Herbal 70.84%
    Ketonic 62.33%
    Sweet 50.11%
    Woody 47.85%
    Spicy 47.17%
    Cheesy 46.21%
    Fatty 46.04%
    Fresh 43.95%
    Earthy 43.48%

     

    Flavor
    Herbal 57.1%
    Woody 45.75%
    Fruity 45.57%
    Green 42.66%
    Earthy 39.71%
    Floral 32.41%
    Spicy 32.28%
    Fresh 31.91%
    Mushroom 30.48%
    Sweet 29.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.99 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 48.28 ˚C est.

  • Synonyms

    • 5-methylheptan-2-one
    • 5-METHYL-2-HEPTANONE
    • 2-Heptanone, 5-methyl-
    • DTXSID30939531
    • RefChem:103118
    • DTXCID101368026
    • 834-197-7
    • WYDAUGNQLUXTFB-UHFFFAOYSA-N
    • 18217-12-4
    • MFCD00048661
    • 5-methyl-heptan-2-one
    • SCHEMBL408474
    • SCHEMBL6363624
    • SCHEMBL7543820
    • SCHEMBL28655640
    • CHEBI:195863
    • LMFA12000050
    • MSK158335
    • AKOS011384478
    • CS-0243170
    • NS00113874
    • E85086
    • EN300-260263
    • Z955111260
    • 18217-12-4

  • Applications

    5-Methyl-2-heptanone (CAS 18217-12-4) is used as a fragrance ingredient and odorant in perfumery, contributing fruity and green notes; in the flavor industry it may be utilized as a flavor compound to impart fruit-like aroma; in cosmetics/personal care it can serve as a fragrance component; in household products it is employed as a scent additive in cleaners and detergents; in industrial manufacturing it can function as an intermediate in organic synthesis or as a processing solvent or aid in polymer/coatings formulation, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1227.76
    methanol 801.82
    isopropanol 1394.68
    water 1.95
    ethyl acetate 485.06
    n-propanol 1031.72
    acetone 696.25
    n-butanol 988.08
    acetonitrile 626.75
    DMF 578.93
    toluene 262.72
    isobutanol 802.09
    1,4-dioxane 1066.42
    methyl acetate 523.38
    THF 1140.41
    2-butanone 637.72
    n-pentanol 539.13
    sec-butanol 1058.59
    n-hexane 197.44
    ethylene glycol 233.23
    NMP 448.6
    cyclohexane 218.03
    DMSO 544.48
    n-butyl acetate 545.73
    n-octanol 389.25
    chloroform 1781.52
    n-propyl acetate 257.28
    acetic acid 563.74
    dichloromethane 1127.06
    cyclohexanone 812.95
    propylene glycol 538.05
    isopropyl acetate 294.65
    DMAc 456.15
    2-ethoxyethanol 479.21
    isopentanol 744.37
    n-heptane 160.02
    ethyl formate 325.51
    1,2-dichloroethane 525.94
    n-hexanol 974.79
    2-methoxyethanol 889.57
    isobutyl acetate 194.14
    tetrachloromethane 306.26
    n-pentyl acetate 288.98
    transcutol 1318.68
    n-heptanol 376.39
    ethylbenzene 180.6
    MIBK 282.22
    2-propoxyethanol 863.19
    tert-butanol 1301.92
    MTBE 642.76
    2-butoxyethanol 458.2
    propionic acid 567.18
    o-xylene 194.56
    formic acid 130.24
    diethyl ether 523.63
    m-xylene 194.24
    p-xylene 225.24
    chlorobenzene 346.29
    dimethyl carbonate 84.45
    n-octane 55.14
    formamide 148.29
    cyclopentanone 729.21
    2-pentanone 449.82
    anisole 308.42
    cyclopentyl methyl ether 480.18
    gamma-butyrolactone 653.6
    1-methoxy-2-propanol 798.57
    pyridine 685.19
    3-pentanone 282.42
    furfural 643.4
    n-dodecane 44.24
    diethylene glycol 520.06
    diisopropyl ether 162.05
    tert-amyl alcohol 914.13
    acetylacetone 387.89
    n-hexadecane 48.43
    acetophenone 253.38
    methyl propionate 304.42
    isopentyl acetate 473.55
    trichloroethylene 1006.68
    n-nonanol 314.7
    cyclohexanol 769.5
    benzyl alcohol 308.16
    2-ethylhexanol 482.53
    isooctanol 276.17
    dipropyl ether 401.31
    1,2-dichlorobenzene 304.1
    ethyl lactate 152.95
    propylene carbonate 422.4
    n-methylformamide 315.54
    2-pentanol 669.02
    n-pentane 162.26
    1-propoxy-2-propanol 683.16
    1-methoxy-2-propyl acetate 404.06
    2-(2-methoxypropoxy) propanol 410.09
    mesitylene 128.6
    ε-caprolactone 678.17
    p-cymene 167.23
    epichlorohydrin 757.0
    1,1,1-trichloroethane 755.66
    2-aminoethanol 567.81
    morpholine-4-carbaldehyde 647.64
    sulfolane 616.59
    2,2,4-trimethylpentane 72.08
    2-methyltetrahydrofuran 983.38
    n-hexyl acetate 470.48
    isooctane 60.11
    2-(2-butoxyethoxy)ethanol 533.11
    sec-butyl acetate 203.75
    tert-butyl acetate 316.24
    decalin 92.06
    glycerin 456.69
    diglyme 750.51
    acrylic acid 400.87
    isopropyl myristate 185.27
    n-butyric acid 816.37
    acetyl acetate 255.98
    di(2-ethylhexyl) phthalate 181.6
    ethyl propionate 214.89
    nitromethane 549.57
    1,2-diethoxyethane 450.57
    benzonitrile 447.89
    trioctyl phosphate 140.23
    1-bromopropane 591.68
    gamma-valerolactone 911.77
    n-decanol 230.55
    triethyl phosphate 139.84
    4-methyl-2-pentanol 342.26
    propionitrile 604.39
    vinylene carbonate 380.12
    1,1,2-trichlorotrifluoroethane 587.09
    DMS 234.89
    cumene 138.22
    2-octanol 279.21
    2-hexanone 341.54
    octyl acetate 234.91
    limonene 281.92
    1,2-dimethoxyethane 669.7
    ethyl orthosilicate 140.32
    tributyl phosphate 160.84
    diacetone alcohol 450.01
    N,N-dimethylaniline 207.53
    acrylonitrile 566.41
    aniline 380.42
    1,3-propanediol 685.35
    bromobenzene 352.53
    dibromomethane 887.65
    1,1,2,2-tetrachloroethane 905.23
    2-methyl-cyclohexyl acetate 272.69
    tetrabutyl urea 193.3
    diisobutyl methanol 250.95
    2-phenylethanol 392.27
    styrene 212.62
    dioctyl adipate 242.75
    dimethyl sulfate 125.17
    ethyl butyrate 315.62
    methyl lactate 212.18
    butyl lactate 264.77
    diethyl carbonate 191.25
    propanediol butyl ether 510.71
    triethyl orthoformate 217.13
    p-tert-butyltoluene 174.02
    methyl 4-tert-butylbenzoate 287.82
    morpholine 1270.37
    tert-butylamine 845.36
    n-dodecanol 178.92
    dimethoxymethane 304.6
    ethylene carbonate 322.23
    cyrene 257.17
    2-ethoxyethyl acetate 339.73
    2-ethylhexyl acetate 354.71
    1,2,4-trichlorobenzene 361.88
    4-methylpyridine 643.47
    dibutyl ether 332.74
    2,6-dimethyl-4-heptanol 250.95
    DEF 366.62
    dimethyl isosorbide 514.54
    tetrachloroethylene 544.86
    eugenol 288.22
    triacetin 357.72
    span 80 465.96
    1,4-butanediol 262.96
    1,1-dichloroethane 891.66
    2-methyl-1-pentanol 434.98
    methyl formate 196.0
    2-methyl-1-butanol 662.63
    n-decane 71.97
    butyronitrile 709.77
    3,7-dimethyl-1-octanol 369.9
    1-chlorooctane 215.19
    1-chlorotetradecane 88.21
    n-nonane 74.01
    undecane 54.69
    tert-butylcyclohexane 98.16
    cyclooctane 65.25
    cyclopentanol 766.74
    tetrahydropyran 1125.43
    tert-amyl methyl ether 415.12
    2,5,8-trioxanonane 530.09
    1-hexene 451.02
    2-isopropoxyethanol 369.83
    2,2,2-trifluoroethanol 145.37
    methyl butyrate 299.04

    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