2-Methyl-3-heptanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13019-20-0

    Molecular formula
    C8H16O

    SMILES
    CCCCC(=O)C(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.75%
    Herbal 76.95%
    Green 60.43%
    Ketonic 60.05%
    Cheesy 54.42%
    Ethereal 40.62%
    Sweet 38.94%
    Fresh 36.92%
    Mint 36.2%
    Oily 32.82%

     

    Flavor
    Fruity 71.69%
    Green 65.51%
    Tropical 31.14%
    Berry 29.44%
    Ethereal 27.77%
    Leafy 26.74%
    Oily 24.96%
    Herbal 24.6%
    Apple 24.29%
    Cheese 23.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.97 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    158°C

    Flash point

    • 47.12 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in fats
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-METHYL-3-HEPTANONE
    • 2-Methylheptan-3-one
    • 13019-20-0
    • 3-Heptanone, 2-methyl-
    • Butyl isopropyl ketone
    • 2-Methylheptanone-(3)
    • UNII-CH4JHS76WY
    • CH4JHS76WY
    • 2-methyl-heptan-3-one
    • EINECS 235-877-0
    • NSC 21978
    • NSC-21978
    • DTXSID3073395
    • FEMA NO. 4000
    • XYYMFUCZDNNGFS-UHFFFAOYSA-
    • 2-METHYLBUTYL ISOPROPYL KETONE
    • 2-METHYLHEPTAN-3-ONE [FHFI]
    • NSC21978
    • MFCD00009481
    • 3-Heptanone,2-methyl-
    • SCHEMBL102831
    • 2-Methyl-3-heptanone, 98%
    • 2-Methyl-3-heptanone, 99%
    • DTXCID6033956
    • 3-Heptanone, 2-methyl-(8CI)
    • CHEBI:195851
    • AKOS009156813
    • 3-Heptanone, 2-methyl-(8CI)(9CI)
    • 3-Heptanone, 2-methyl- (8CI)(9CI)
    • LS-13504
    • DB-041949
    • CS-0188082
    • M0693
    • NS00020570
    • D91376
    • Q27275460

  • Applications

    2-Methyl-3-heptanone (CAS 13019-20-0) is used in fragrance and cosmetic formulations as an odorant component, contributing green-fruity notes in perfumes and scented personal care products. It may be employed in household products such as air fresheners and cleaners to impart a specific aroma. In industrial manufacturing, it can serve as an intermediate or processing aid in organic syntheses or formulation blends. It is also sometimes used as an odorant additive in polymer formulations and coatings to provide scent release. The role as a fragrance ingredient or odorant is typical for this class of ketones, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1677.41
    methanol 1500.77
    isopropanol 1729.08
    water 2.13
    ethyl acetate 796.86
    n-propanol 1411.65
    acetone 1063.59
    n-butanol 1451.84
    acetonitrile 1292.09
    DMF 881.58
    toluene 568.34
    isobutanol 1215.42
    1,4-dioxane 1432.95
    methyl acetate 782.45
    THF 1547.05
    2-butanone 1094.17
    n-pentanol 1068.07
    sec-butanol 1629.66
    n-hexane 558.88
    ethylene glycol 181.17
    NMP 927.08
    cyclohexane 525.77
    DMSO 668.79
    n-butyl acetate 1546.19
    n-octanol 927.43
    chloroform 4447.32
    n-propyl acetate 735.47
    acetic acid 976.81
    dichloromethane 2992.6
    cyclohexanone 1657.64
    propylene glycol 374.08
    isopropyl acetate 540.7
    DMAc 763.43
    2-ethoxyethanol 756.17
    isopentanol 1279.77
    n-heptane 431.45
    ethyl formate 784.43
    1,2-dichloroethane 1300.79
    n-hexanol 1556.64
    2-methoxyethanol 1076.27
    isobutyl acetate 523.41
    tetrachloromethane 933.37
    n-pentyl acetate 927.6
    transcutol 1881.52
    n-heptanol 892.26
    ethylbenzene 512.8
    MIBK 519.92
    2-propoxyethanol 1222.45
    tert-butanol 1747.87
    MTBE 1208.82
    2-butoxyethanol 994.64
    propionic acid 954.89
    o-xylene 425.79
    formic acid 244.64
    diethyl ether 901.07
    m-xylene 371.67
    p-xylene 740.9
    chlorobenzene 1011.84
    dimethyl carbonate 150.75
    n-octane 189.5
    formamide 298.74
    cyclopentanone 1377.69
    2-pentanone 779.45
    anisole 712.82
    cyclopentyl methyl ether 742.6
    gamma-butyrolactone 1332.65
    1-methoxy-2-propanol 825.36
    pyridine 1642.75
    3-pentanone 523.58
    furfural 1431.08
    n-dodecane 133.25
    diethylene glycol 584.25
    diisopropyl ether 316.27
    tert-amyl alcohol 1495.59
    acetylacetone 596.68
    n-hexadecane 148.62
    acetophenone 671.26
    methyl propionate 457.91
    isopentyl acetate 1380.99
    trichloroethylene 2781.12
    n-nonanol 755.03
    cyclohexanol 1221.21
    benzyl alcohol 656.6
    2-ethylhexanol 1119.86
    isooctanol 707.43
    dipropyl ether 811.75
    1,2-dichlorobenzene 906.82
    ethyl lactate 317.86
    propylene carbonate 1045.11
    n-methylformamide 599.25
    2-pentanol 1034.95
    n-pentane 374.43
    1-propoxy-2-propanol 1096.28
    1-methoxy-2-propyl acetate 654.34
    2-(2-methoxypropoxy) propanol 620.75
    mesitylene 271.76
    ε-caprolactone 1406.83
    p-cymene 465.89
    epichlorohydrin 1499.47
    1,1,1-trichloroethane 1867.74
    2-aminoethanol 521.86
    morpholine-4-carbaldehyde 1027.87
    sulfolane 1191.33
    2,2,4-trimethylpentane 187.03
    2-methyltetrahydrofuran 1638.3
    n-hexyl acetate 1203.04
    isooctane 149.64
    2-(2-butoxyethoxy)ethanol 868.82
    sec-butyl acetate 513.59
    tert-butyl acetate 530.2
    decalin 258.16
    glycerin 364.52
    diglyme 1394.38
    acrylic acid 686.55
    isopropyl myristate 433.42
    n-butyric acid 1435.97
    acetyl acetate 426.51
    di(2-ethylhexyl) phthalate 367.05
    ethyl propionate 516.78
    nitromethane 1015.32
    1,2-diethoxyethane 911.87
    benzonitrile 1362.32
    trioctyl phosphate 297.85
    1-bromopropane 1271.14
    gamma-valerolactone 1556.34
    n-decanol 525.17
    triethyl phosphate 342.32
    4-methyl-2-pentanol 585.3
    propionitrile 1167.17
    vinylene carbonate 969.38
    1,1,2-trichlorotrifluoroethane 1038.17
    DMS 440.62
    cumene 400.08
    2-octanol 739.82
    2-hexanone 919.61
    octyl acetate 523.54
    limonene 694.86
    1,2-dimethoxyethane 1349.79
    ethyl orthosilicate 349.09
    tributyl phosphate 380.81
    diacetone alcohol 604.22
    N,N-dimethylaniline 484.81
    acrylonitrile 1201.65
    aniline 730.67
    1,3-propanediol 823.34
    bromobenzene 1106.72
    dibromomethane 2212.19
    1,1,2,2-tetrachloroethane 2308.66
    2-methyl-cyclohexyl acetate 668.22
    tetrabutyl urea 443.13
    diisobutyl methanol 546.16
    2-phenylethanol 772.17
    styrene 616.41
    dioctyl adipate 523.8
    dimethyl sulfate 216.84
    ethyl butyrate 895.77
    methyl lactate 260.66
    butyl lactate 641.02
    diethyl carbonate 543.18
    propanediol butyl ether 839.35
    triethyl orthoformate 582.86
    p-tert-butyltoluene 425.36
    methyl 4-tert-butylbenzoate 561.0
    morpholine 1710.59
    tert-butylamine 1395.56
    n-dodecanol 388.54
    dimethoxymethane 427.72
    ethylene carbonate 804.84
    cyrene 429.38
    2-ethoxyethyl acetate 724.11
    2-ethylhexyl acetate 1066.87
    1,2,4-trichlorobenzene 1018.47
    4-methylpyridine 1684.82
    dibutyl ether 930.81
    2,6-dimethyl-4-heptanol 546.16
    DEF 750.64
    dimethyl isosorbide 825.1
    tetrachloroethylene 1569.12
    eugenol 602.02
    triacetin 636.75
    span 80 724.09
    1,4-butanediol 401.91
    1,1-dichloroethane 2018.64
    2-methyl-1-pentanol 981.81
    methyl formate 406.57
    2-methyl-1-butanol 1186.32
    n-decane 237.83
    butyronitrile 1562.89
    3,7-dimethyl-1-octanol 849.26
    1-chlorooctane 681.82
    1-chlorotetradecane 249.63
    n-nonane 255.67
    undecane 172.91
    tert-butylcyclohexane 281.42
    cyclooctane 166.94
    cyclopentanol 1194.27
    tetrahydropyran 1741.31
    tert-amyl methyl ether 778.32
    2,5,8-trioxanonane 876.87
    1-hexene 1229.18
    2-isopropoxyethanol 622.78
    2,2,2-trifluoroethanol 255.33
    methyl butyrate 885.66

    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