2-Methyl-2-hepten-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    22319-24-0

    Molecular formula
    C8H14O

    SMILES
    CCCC(=O)C=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 63.41%
    Green 62.99%
    Herbal 61.33%
    Sweet 59.03%
    Earthy 50.92%
    Ketonic 50.87%
    Mint 47.43%
    Vegetable 46.97%
    Pungent 45.45%
    Spicy 43.28%

     

    Flavor
    Sweet 58.1%
    Fruity 54.36%
    Green 44.4%
    Earthy 34.18%
    Nutty 32.71%
    Berry 31.51%
    Ethereal 30.78%
    Pungent 30.58%
    Spicy 30.41%
    Caramel 29.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.23 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 51.35 ˚C est.

  • Synonyms

    • 2-METHYL-2-HEPTEN-4-ONE
    • 22319-24-0
    • 2-Hepten-4-one, 2-methyl-
    • DTXSID30176863
    • RefChem:88034
    • DTXCID6099354
    • FKMGZMDLSNOJPQ-UHFFFAOYSA-N
    • 2-methylhept-2-en-4-one
    • 2-methyl-hept-2-en-4-one
    • SCHEMBL4391467
    • AKOS017730460
    • 22319-24-0

  • Applications

    2-Methyl-2-hepten-4-one (CAS 22319-24-0) is primarily used as a fragrance-related chemical, often evaluated as an aroma ingredient in perfumery and as an aroma-active compound in flavor formulations. It may be used in cosmetics and personal care products as a fragrance component, and can contribute scent to household products such as cleaners and air fresheners. In industrial manufacturing, it is commonly employed as an intermediate in fragrance synthesis and related chemical processes, and it may serve as a specialty solvent or processing aid under controlled conditions. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1070.53
    methanol 1294.36
    isopropanol 1022.27
    water 4.59
    ethyl acetate 462.56
    n-propanol 912.9
    acetone 802.64
    n-butanol 1007.09
    acetonitrile 788.7
    DMF 841.59
    toluene 354.99
    isobutanol 769.49
    1,4-dioxane 1103.98
    methyl acetate 422.7
    THF 1623.43
    2-butanone 552.76
    n-pentanol 651.21
    sec-butanol 881.8
    n-hexane 740.77
    ethylene glycol 243.83
    NMP 926.45
    cyclohexane 847.11
    DMSO 590.16
    n-butyl acetate 663.72
    n-octanol 699.02
    chloroform 2407.5
    n-propyl acetate 338.93
    acetic acid 980.19
    dichloromethane 1397.78
    cyclohexanone 1208.96
    propylene glycol 396.02
    isopropyl acetate 311.38
    DMAc 550.6
    2-ethoxyethanol 400.95
    isopentanol 753.15
    n-heptane 584.6
    ethyl formate 419.56
    1,2-dichloroethane 681.31
    n-hexanol 1321.09
    2-methoxyethanol 775.83
    isobutyl acetate 274.34
    tetrachloromethane 481.41
    n-pentyl acetate 394.59
    transcutol 1060.38
    n-heptanol 532.66
    ethylbenzene 290.9
    MIBK 372.24
    2-propoxyethanol 868.62
    tert-butanol 1127.9
    MTBE 668.99
    2-butoxyethanol 462.96
    propionic acid 633.64
    o-xylene 272.04
    formic acid 256.47
    diethyl ether 713.1
    m-xylene 290.41
    p-xylene 379.55
    chlorobenzene 523.3
    dimethyl carbonate 165.53
    n-octane 178.63
    formamide 217.65
    cyclopentanone 1054.94
    2-pentanone 559.09
    anisole 382.63
    cyclopentyl methyl ether 808.37
    gamma-butyrolactone 1024.56
    1-methoxy-2-propanol 605.26
    pyridine 763.7
    3-pentanone 374.19
    furfural 780.29
    n-dodecane 139.93
    diethylene glycol 511.8
    diisopropyl ether 262.43
    tert-amyl alcohol 867.67
    acetylacetone 434.61
    n-hexadecane 152.35
    acetophenone 338.06
    methyl propionate 353.1
    isopentyl acetate 597.43
    trichloroethylene 1355.93
    n-nonanol 539.78
    cyclohexanol 1075.62
    benzyl alcohol 360.58
    2-ethylhexanol 763.7
    isooctanol 397.49
    dipropyl ether 636.39
    1,2-dichlorobenzene 485.87
    ethyl lactate 218.61
    propylene carbonate 676.75
    n-methylformamide 435.99
    2-pentanol 711.88
    n-pentane 538.4
    1-propoxy-2-propanol 709.14
    1-methoxy-2-propyl acetate 416.19
    2-(2-methoxypropoxy) propanol 471.27
    mesitylene 225.72
    ε-caprolactone 838.51
    p-cymene 281.02
    epichlorohydrin 850.79
    1,1,1-trichloroethane 955.3
    2-aminoethanol 458.22
    morpholine-4-carbaldehyde 762.61
    sulfolane 1081.48
    2,2,4-trimethylpentane 180.73
    2-methyltetrahydrofuran 1187.01
    n-hexyl acetate 773.29
    isooctane 154.39
    2-(2-butoxyethoxy)ethanol 601.04
    sec-butyl acetate 230.75
    tert-butyl acetate 373.0
    decalin 263.59
    glycerin 419.52
    diglyme 793.31
    acrylic acid 521.12
    isopropyl myristate 331.26
    n-butyric acid 980.94
    acetyl acetate 302.79
    di(2-ethylhexyl) phthalate 285.08
    ethyl propionate 279.79
    nitromethane 787.86
    1,2-diethoxyethane 455.03
    benzonitrile 566.48
    trioctyl phosphate 253.62
    1-bromopropane 725.82
    gamma-valerolactone 1062.82
    n-decanol 403.71
    triethyl phosphate 229.39
    4-methyl-2-pentanol 371.96
    propionitrile 657.14
    vinylene carbonate 607.15
    1,1,2-trichlorotrifluoroethane 695.14
    DMS 338.53
    cumene 227.43
    2-octanol 443.86
    2-hexanone 463.22
    octyl acetate 422.92
    limonene 489.71
    1,2-dimethoxyethane 808.54
    ethyl orthosilicate 229.39
    tributyl phosphate 287.05
    diacetone alcohol 445.18
    N,N-dimethylaniline 314.19
    acrylonitrile 616.4
    aniline 414.86
    1,3-propanediol 586.41
    bromobenzene 565.87
    dibromomethane 1215.55
    1,1,2,2-tetrachloroethane 1267.51
    2-methyl-cyclohexyl acetate 433.14
    tetrabutyl urea 369.72
    diisobutyl methanol 384.72
    2-phenylethanol 476.76
    styrene 328.9
    dioctyl adipate 421.38
    dimethyl sulfate 252.83
    ethyl butyrate 412.2
    methyl lactate 255.11
    butyl lactate 353.61
    diethyl carbonate 295.48
    propanediol butyl ether 569.65
    triethyl orthoformate 315.65
    p-tert-butyltoluene 283.94
    methyl 4-tert-butylbenzoate 429.54
    morpholine 1195.02
    tert-butylamine 949.09
    n-dodecanol 325.16
    dimethoxymethane 476.14
    ethylene carbonate 502.34
    cyrene 365.18
    2-ethoxyethyl acetate 347.69
    2-ethylhexyl acetate 481.79
    1,2,4-trichlorobenzene 521.7
    4-methylpyridine 756.76
    dibutyl ether 609.21
    2,6-dimethyl-4-heptanol 384.72
    DEF 513.0
    dimethyl isosorbide 686.32
    tetrachloroethylene 815.25
    eugenol 394.89
    triacetin 477.43
    span 80 589.25
    1,4-butanediol 271.28
    1,1-dichloroethane 933.07
    2-methyl-1-pentanol 566.41
    methyl formate 356.49
    2-methyl-1-butanol 736.53
    n-decane 219.08
    butyronitrile 934.55
    3,7-dimethyl-1-octanol 540.3
    1-chlorooctane 492.72
    1-chlorotetradecane 221.58
    n-nonane 254.6
    undecane 167.97
    tert-butylcyclohexane 264.27
    cyclooctane 280.97
    cyclopentanol 1006.05
    tetrahydropyran 1446.04
    tert-amyl methyl ether 497.26
    2,5,8-trioxanonane 642.71
    1-hexene 963.82
    2-isopropoxyethanol 311.33
    2,2,2-trifluoroethanol 255.98
    methyl butyrate 436.52

    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