5-Methyl-2-hexenal

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  • Identifiers

    CAS number
    36747-83-8

    Molecular formula
    C7H12O

    SMILES
    CC(C)C/C=C/C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 87.66%
    Fruity 71.77%
    Fatty 67.32%
    Pungent 59.32%
    Aldehydic 59.28%
    Fresh 56.83%
    Herbal 52.27%
    Spicy 52.11%
    Grassy 47.81%
    Sweet 47.05%

     

    Flavor
    Green 71.67%
    Fatty 55.36%
    Fruity 49.39%
    Sweet 44.0%
    Fat 37.49%
    Aldehydic 36.2%
    Fresh 32.38%
    Vegetable 32.19%
    Almond 31.53%
    Grassy 31.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.68 (neutral)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point

    • 47.94 ˚C est.

  • Synonyms

    • 5-METHYLHEX-2-ENAL
    • 36747-83-8
    • 5-methyl-2-hexenal
    • SCHEMBL1782793
    • SCHEMBL2162415
    • MFCD00632166
    • SY298528
    • EN300-1830785
    • 36747-83-8

  • Applications

    5-Methyl-2-hexenal (CAS 36747-83-8) is an unsaturated aldehyde with a green, leaf-like aroma; in practice it is used as an odorant in fragrance formulations and as a precursor for other aroma compounds, and it is evaluated for fragrance applications in cosmetics and personal care; in household products it may appear as a volatile scent component in cleaners and air fresheners due to its volatility and characteristic odor; additionally, it can serve as a precursor or building block in industrial manufacturing of fragrance-related chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 318.85
    methanol 192.48
    isopropanol 277.99
    water 0.35
    ethyl acetate 310.66
    n-propanol 257.79
    acetone 436.57
    n-butanol 283.32
    acetonitrile 179.75
    DMF 337.53
    toluene 73.31
    isobutanol 204.75
    1,4-dioxane 306.45
    methyl acetate 260.79
    THF 795.74
    2-butanone 362.54
    n-pentanol 154.26
    sec-butanol 227.07
    n-hexane 62.81
    ethylene glycol 66.72
    NMP 506.14
    cyclohexane 61.11
    DMSO 435.96
    n-butyl acetate 405.53
    n-octanol 126.75
    chloroform 553.46
    n-propyl acetate 192.23
    acetic acid 323.85
    dichloromethane 528.03
    cyclohexanone 547.02
    propylene glycol 124.61
    isopropyl acetate 193.66
    DMAc 216.68
    2-ethoxyethanol 168.95
    isopentanol 245.26
    n-heptane 58.9
    ethyl formate 172.54
    1,2-dichloroethane 340.02
    n-hexanol 357.54
    2-methoxyethanol 321.26
    isobutyl acetate 138.19
    tetrachloromethane 106.06
    n-pentyl acetate 168.13
    transcutol 888.82
    n-heptanol 121.5
    ethylbenzene 62.1
    MIBK 193.2
    2-propoxyethanol 415.55
    tert-butanol 327.05
    MTBE 253.53
    2-butoxyethanol 185.47
    propionic acid 259.51
    o-xylene 70.56
    formic acid 64.83
    diethyl ether 218.01
    m-xylene 83.57
    p-xylene 77.38
    chlorobenzene 161.39
    dimethyl carbonate 82.05
    n-octane 18.78
    formamide 80.98
    cyclopentanone 739.54
    2-pentanone 341.84
    anisole 136.11
    cyclopentyl methyl ether 337.65
    gamma-butyrolactone 698.89
    1-methoxy-2-propanol 313.75
    pyridine 247.23
    3-pentanone 216.04
    furfural 440.95
    n-dodecane 15.57
    diethylene glycol 248.09
    diisopropyl ether 89.94
    tert-amyl alcohol 251.36
    acetylacetone 328.75
    n-hexadecane 17.26
    acetophenone 144.64
    methyl propionate 228.43
    isopentyl acetate 336.73
    trichloroethylene 721.99
    n-nonanol 106.18
    cyclohexanol 250.5
    benzyl alcohol 105.6
    2-ethylhexanol 199.77
    isooctanol 99.94
    dipropyl ether 223.08
    1,2-dichlorobenzene 180.43
    ethyl lactate 104.83
    propylene carbonate 381.71
    n-methylformamide 167.43
    2-pentanol 206.41
    n-pentane 47.03
    1-propoxy-2-propanol 372.6
    1-methoxy-2-propyl acetate 335.61
    2-(2-methoxypropoxy) propanol 228.31
    mesitylene 68.26
    ε-caprolactone 392.25
    p-cymene 87.17
    epichlorohydrin 603.52
    1,1,1-trichloroethane 389.26
    2-aminoethanol 132.26
    morpholine-4-carbaldehyde 349.3
    sulfolane 901.06
    2,2,4-trimethylpentane 30.23
    2-methyltetrahydrofuran 593.26
    n-hexyl acetate 268.8
    isooctane 29.77
    2-(2-butoxyethoxy)ethanol 295.78
    sec-butyl acetate 140.24
    tert-butyl acetate 250.82
    decalin 38.91
    glycerin 147.18
    diglyme 432.76
    acrylic acid 206.49
    isopropyl myristate 115.95
    n-butyric acid 398.04
    acetyl acetate 177.02
    di(2-ethylhexyl) phthalate 106.82
    ethyl propionate 171.15
    nitromethane 388.35
    1,2-diethoxyethane 270.42
    benzonitrile 159.91
    trioctyl phosphate 89.62
    1-bromopropane 224.11
    gamma-valerolactone 619.06
    n-decanol 83.99
    triethyl phosphate 98.71
    4-methyl-2-pentanol 125.53
    propionitrile 173.69
    vinylene carbonate 265.97
    1,1,2-trichlorotrifluoroethane 375.58
    DMS 183.37
    cumene 58.84
    2-octanol 87.68
    2-hexanone 221.95
    octyl acetate 139.44
    limonene 144.01
    1,2-dimethoxyethane 265.53
    ethyl orthosilicate 95.39
    tributyl phosphate 113.91
    diacetone alcohol 305.99
    N,N-dimethylaniline 96.61
    acrylonitrile 196.27
    aniline 114.37
    1,3-propanediol 198.27
    bromobenzene 164.28
    dibromomethane 366.01
    1,1,2,2-tetrachloroethane 504.16
    2-methyl-cyclohexyl acetate 200.82
    tetrabutyl urea 134.32
    diisobutyl methanol 132.03
    2-phenylethanol 169.21
    styrene 70.46
    dioctyl adipate 167.15
    dimethyl sulfate 151.7
    ethyl butyrate 240.17
    methyl lactate 130.07
    butyl lactate 156.4
    diethyl carbonate 146.1
    propanediol butyl ether 222.59
    triethyl orthoformate 161.2
    p-tert-butyltoluene 91.64
    methyl 4-tert-butylbenzoate 179.9
    morpholine 398.18
    tert-butylamine 208.67
    n-dodecanol 68.7
    dimethoxymethane 194.63
    ethylene carbonate 215.3
    cyrene 190.24
    2-ethoxyethyl acetate 217.88
    2-ethylhexyl acetate 251.59
    1,2,4-trichlorobenzene 210.95
    4-methylpyridine 222.46
    dibutyl ether 152.84
    2,6-dimethyl-4-heptanol 132.03
    DEF 250.63
    dimethyl isosorbide 416.33
    tetrachloroethylene 321.9
    eugenol 170.68
    triacetin 229.21
    span 80 246.39
    1,4-butanediol 75.86
    1,1-dichloroethane 393.49
    2-methyl-1-pentanol 144.31
    methyl formate 141.6
    2-methyl-1-butanol 214.36
    n-decane 23.95
    butyronitrile 224.74
    3,7-dimethyl-1-octanol 145.8
    1-chlorooctane 94.44
    1-chlorotetradecane 41.19
    n-nonane 24.51
    undecane 18.93
    tert-butylcyclohexane 41.99
    cyclooctane 24.31
    cyclopentanol 337.23
    tetrahydropyran 430.9
    tert-amyl methyl ether 182.57
    2,5,8-trioxanonane 312.55
    1-hexene 158.26
    2-isopropoxyethanol 147.65
    2,2,2-trifluoroethanol 98.8
    methyl butyrate 224.43

    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