5-Ethyl-6-methyl-3-heptene-2-one

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  • Identifiers

    CAS number
    57283-79-1

    Molecular formula
    C10H18O

    SMILES
    CCC(/C=C/C(=O)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 68.52%
    Fruity 59.21%
    Herbal 53.34%
    Sweet 41.77%
    Dry 41.44%
    Floral 38.83%
    Spicy 38.37%
    Fresh 37.59%
    Mint 35.26%
    Orris 30.64%

     

    Flavor
    Floral 51.49%
    Fruity 49.5%
    Herbal 40.08%
    Woody 38.04%
    Sweet 30.44%
    Citrus 29.75%
    Tropical 27.7%
    Spicy 27.0%
    Green 26.22%
    Berry 25.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.06 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 75.58 ˚C est.

  • Synonyms

    • 5-Ethyl-6-methyl-3-heptene-2-one
    • (E)-5-ethyl-6-methylhept-3-en-2-one
    • RefChem:1072911
    • (e)-5-ethyl-6-methyl-3-hepten-2-one
    • 5-ethyl-6-methylhept-3-en-2-one
    • SCHEMBL28714257
    • BCYUENXUQILNAA-VOTSOKGWSA-N
    • (R,S)-5-Ethyl-6-methyl-3E-hepten-2-one
    • (3E)-5-Ethyl-6-methyl-3-hepten-2-one #
    • 57283-79-1
    • 57283-79-1

  • Applications

    5-Ethyl-6-methyl-3-heptene-2-one (CAS 57283-79-1) is primarily used as a fragrance ingredient and odorant in perfumery, cosmetics, and personal care products, where it may serve as a lightweight fixative in fragrance formulations; it is also employed as an organic synthesis intermediate for aroma-related and specialty chemicals; in industrial contexts, it is commonly evaluated for flavor/fragrance applications and is sometimes used as a scent additive in coatings and inks for surface finishing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 661.18
    methanol 511.85
    isopropanol 555.82
    water 0.47
    ethyl acetate 449.35
    n-propanol 488.95
    acetone 554.63
    n-butanol 520.39
    acetonitrile 426.37
    DMF 435.46
    toluene 282.54
    isobutanol 375.99
    1,4-dioxane 1076.82
    methyl acetate 355.78
    THF 1429.4
    2-butanone 460.29
    n-pentanol 293.35
    sec-butanol 425.59
    n-hexane 163.84
    ethylene glycol 69.16
    NMP 531.58
    cyclohexane 278.29
    DMSO 422.66
    n-butyl acetate 574.74
    n-octanol 230.96
    chloroform 1334.77
    n-propyl acetate 252.07
    acetic acid 331.26
    dichloromethane 1114.16
    cyclohexanone 827.7
    propylene glycol 136.66
    isopropyl acetate 267.98
    DMAc 311.72
    2-ethoxyethanol 250.3
    isopentanol 425.94
    n-heptane 156.62
    ethyl formate 278.05
    1,2-dichloroethane 582.5
    n-hexanol 655.77
    2-methoxyethanol 468.67
    isobutyl acetate 180.88
    tetrachloromethane 275.33
    n-pentyl acetate 258.57
    transcutol 1074.74
    n-heptanol 223.78
    ethylbenzene 164.85
    MIBK 229.51
    2-propoxyethanol 590.25
    tert-butanol 641.77
    MTBE 487.86
    2-butoxyethanol 284.49
    propionic acid 274.3
    o-xylene 178.02
    formic acid 68.17
    diethyl ether 550.04
    m-xylene 197.99
    p-xylene 205.19
    chlorobenzene 349.7
    dimethyl carbonate 81.2
    n-octane 45.28
    formamide 99.61
    cyclopentanone 767.13
    2-pentanone 414.9
    anisole 252.53
    cyclopentyl methyl ether 559.96
    gamma-butyrolactone 734.79
    1-methoxy-2-propanol 387.5
    pyridine 587.52
    3-pentanone 259.31
    furfural 521.95
    n-dodecane 35.0
    diethylene glycol 287.79
    diisopropyl ether 161.6
    tert-amyl alcohol 449.37
    acetylacetone 358.08
    n-hexadecane 39.79
    acetophenone 215.05
    methyl propionate 264.16
    isopentyl acetate 464.94
    trichloroethylene 983.26
    n-nonanol 193.68
    cyclohexanol 543.26
    benzyl alcohol 201.22
    2-ethylhexanol 359.82
    isooctanol 166.53
    dipropyl ether 407.74
    1,2-dichlorobenzene 299.03
    ethyl lactate 106.51
    propylene carbonate 411.72
    n-methylformamide 192.9
    2-pentanol 343.2
    n-pentane 146.04
    1-propoxy-2-propanol 461.89
    1-methoxy-2-propyl acetate 379.76
    2-(2-methoxypropoxy) propanol 290.49
    mesitylene 130.8
    ε-caprolactone 640.21
    p-cymene 156.91
    epichlorohydrin 792.07
    1,1,1-trichloroethane 683.76
    2-aminoethanol 173.84
    morpholine-4-carbaldehyde 549.72
    sulfolane 669.17
    2,2,4-trimethylpentane 60.8
    2-methyltetrahydrofuran 1113.72
    n-hexyl acetate 407.89
    isooctane 51.67
    2-(2-butoxyethoxy)ethanol 396.28
    sec-butyl acetate 186.51
    tert-butyl acetate 292.01
    decalin 96.52
    glycerin 138.56
    diglyme 593.53
    acrylic acid 186.76
    isopropyl myristate 161.38
    n-butyric acid 500.55
    acetyl acetate 233.89
    di(2-ethylhexyl) phthalate 157.12
    ethyl propionate 214.84
    nitromethane 395.6
    1,2-diethoxyethane 456.32
    benzonitrile 332.67
    trioctyl phosphate 121.38
    1-bromopropane 526.8
    gamma-valerolactone 818.34
    n-decanol 144.74
    triethyl phosphate 138.84
    4-methyl-2-pentanol 190.13
    propionitrile 364.36
    vinylene carbonate 329.95
    1,1,2-trichlorotrifluoroethane 406.23
    DMS 228.36
    cumene 123.87
    2-octanol 164.57
    2-hexanone 295.37
    octyl acetate 200.7
    limonene 281.33
    1,2-dimethoxyethane 519.59
    ethyl orthosilicate 142.46
    tributyl phosphate 148.79
    diacetone alcohol 299.75
    N,N-dimethylaniline 174.35
    acrylonitrile 315.41
    aniline 291.67
    1,3-propanediol 273.81
    bromobenzene 373.63
    dibromomethane 840.76
    1,1,2,2-tetrachloroethane 795.47
    2-methyl-cyclohexyl acetate 280.2
    tetrabutyl urea 174.34
    diisobutyl methanol 185.37
    2-phenylethanol 295.99
    styrene 187.58
    dioctyl adipate 220.5
    dimethyl sulfate 118.28
    ethyl butyrate 338.07
    methyl lactate 117.32
    butyl lactate 199.3
    diethyl carbonate 204.46
    propanediol butyl ether 273.34
    triethyl orthoformate 232.13
    p-tert-butyltoluene 156.77
    methyl 4-tert-butylbenzoate 225.63
    morpholine 1163.7
    tert-butylamine 476.35
    n-dodecanol 113.78
    dimethoxymethane 299.66
    ethylene carbonate 294.55
    cyrene 225.51
    2-ethoxyethyl acetate 303.1
    2-ethylhexyl acetate 377.63
    1,2,4-trichlorobenzene 353.28
    4-methylpyridine 570.01
    dibutyl ether 286.67
    2,6-dimethyl-4-heptanol 185.37
    DEF 341.52
    dimethyl isosorbide 505.87
    tetrachloroethylene 509.37
    eugenol 209.03
    triacetin 293.4
    span 80 319.99
    1,4-butanediol 92.81
    1,1-dichloroethane 709.92
    2-methyl-1-pentanol 259.73
    methyl formate 145.62
    2-methyl-1-butanol 375.26
    n-decane 56.85
    butyronitrile 490.63
    3,7-dimethyl-1-octanol 221.42
    1-chlorooctane 181.74
    1-chlorotetradecane 78.46
    n-nonane 59.43
    undecane 43.42
    tert-butylcyclohexane 89.32
    cyclooctane 84.16
    cyclopentanol 512.34
    tetrahydropyran 1210.53
    tert-amyl methyl ether 322.49
    2,5,8-trioxanonane 422.85
    1-hexene 365.41
    2-isopropoxyethanol 204.31
    2,2,2-trifluoroethanol 82.63
    methyl butyrate 294.66

    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