2-Methyl-2-hexenal

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  • Identifiers

    CAS number
    28467-88-1

    Molecular formula
    C7H12O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 89.9%
    Fruity 87.14%
    Fatty 66.57%
    Fresh 56.25%
    Aldehydic 51.74%
    Pungent 51.47%
    Grassy 46.33%
    Vegetable 45.29%
    Apple 44.56%
    Herbal 43.75%

     

    Flavor
    Green 66.13%
    Fruity 56.16%
    Nutty 46.02%
    Fatty 43.45%
    Spicy 42.63%
    Herbal 41.34%
    Earthy 38.58%
    Pungent 36.85%
    Citrus 34.18%
    Sweet 33.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.35 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 43.78 ˚C est.

  • Synonyms

    • 2-methyl-2-hexenal
    • DTXSID601020857
    • 28467-88-1
    • RefChem:1063685
    • DTXCID501505252
    • (E)-2-methyl-2-hexenal
    • 2-Hexenal, 2-methyl-
    • (E)-2-methyl-hex-2-enal
    • (2E)-2-Methyl-2-hexenal
    • SCHEMBL1782545
    • SCHEMBL2164463
    • (2E)-2-Methyl-2-hexenal #
    • (2E)-2-METHYLHEX-2-ENAL
    • 28467-88-1

  • Applications

    Chemical name: 2-Methyl-2-hexenal; CAS number: 28467-88-1. This volatile aldehyde with a green, leafy note is commonly evaluated as a fragrance ingredient and odorant in perfumery and personal care, and may be used in household cleaners and air fresheners to impart scent. It may also be considered as a flavor-related component in select applications under regulatory control. In industrial manufacturing, it serves as an aroma chemical intermediate for synthesizing other fragrance materials. It may also find use as a fragrance additive in coatings, inks, and related products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1061.03
    methanol 704.03
    isopropanol 994.33
    water 0.75
    ethyl acetate 1037.47
    n-propanol 896.95
    acetone 1410.63
    n-butanol 871.93
    acetonitrile 960.84
    DMF 1070.03
    toluene 322.9
    isobutanol 784.92
    1,4-dioxane 992.87
    methyl acetate 965.77
    THF 1472.02
    2-butanone 1263.31
    n-pentanol 561.28
    sec-butanol 906.68
    n-hexane 181.14
    ethylene glycol 149.52
    NMP 1095.17
    cyclohexane 177.01
    DMSO 1023.8
    n-butyl acetate 1143.48
    n-octanol 370.98
    chloroform 2195.19
    n-propyl acetate 634.45
    acetic acid 821.06
    dichloromethane 2110.46
    cyclohexanone 1377.92
    propylene glycol 256.55
    isopropyl acetate 538.9
    DMAc 616.5
    2-ethoxyethanol 500.73
    isopentanol 768.54
    n-heptane 121.55
    ethyl formate 602.14
    1,2-dichloroethane 1234.52
    n-hexanol 883.73
    2-methoxyethanol 783.48
    isobutyl acetate 408.88
    tetrachloromethane 442.12
    n-pentyl acetate 513.1
    transcutol 2007.37
    n-heptanol 340.47
    ethylbenzene 232.62
    MIBK 496.46
    2-propoxyethanol 900.87
    tert-butanol 1085.52
    MTBE 849.9
    2-butoxyethanol 490.29
    propionic acid 791.82
    o-xylene 230.8
    formic acid 163.07
    diethyl ether 777.65
    m-xylene 260.7
    p-xylene 304.58
    chlorobenzene 610.1
    dimethyl carbonate 202.86
    n-octane 55.61
    formamide 226.91
    cyclopentanone 1612.32
    2-pentanone 898.72
    anisole 419.89
    cyclopentyl methyl ether 701.78
    gamma-butyrolactone 1627.97
    1-methoxy-2-propanol 671.68
    pyridine 989.68
    3-pentanone 594.33
    furfural 1072.49
    n-dodecane 43.06
    diethylene glycol 486.49
    diisopropyl ether 243.37
    tert-amyl alcohol 871.34
    acetylacetone 775.55
    n-hexadecane 48.81
    acetophenone 421.94
    methyl propionate 647.58
    isopentyl acetate 880.36
    trichloroethylene 2446.8
    n-nonanol 296.0
    cyclohexanol 695.09
    benzyl alcohol 346.16
    2-ethylhexanol 509.21
    isooctanol 288.62
    dipropyl ether 496.69
    1,2-dichlorobenzene 546.87
    ethyl lactate 243.75
    propylene carbonate 864.75
    n-methylformamide 539.43
    2-pentanol 652.21
    n-pentane 139.3
    1-propoxy-2-propanol 791.01
    1-methoxy-2-propyl acetate 639.4
    2-(2-methoxypropoxy) propanol 471.12
    mesitylene 187.92
    ε-caprolactone 1066.7
    p-cymene 207.36
    epichlorohydrin 1447.51
    1,1,1-trichloroethane 1435.91
    2-aminoethanol 351.43
    morpholine-4-carbaldehyde 836.99
    sulfolane 1606.98
    2,2,4-trimethylpentane 80.3
    2-methyltetrahydrofuran 1434.71
    n-hexyl acetate 739.66
    isooctane 74.69
    2-(2-butoxyethoxy)ethanol 624.43
    sec-butyl acetate 423.88
    tert-butyl acetate 559.66
    decalin 103.6
    glycerin 280.37
    diglyme 1024.78
    acrylic acid 576.15
    isopropyl myristate 254.67
    n-butyric acid 1168.0
    acetyl acetate 454.36
    di(2-ethylhexyl) phthalate 207.46
    ethyl propionate 474.43
    nitromethane 1193.64
    1,2-diethoxyethane 761.44
    benzonitrile 647.83
    trioctyl phosphate 173.26
    1-bromopropane 985.38
    gamma-valerolactone 1398.62
    n-decanol 217.3
    triethyl phosphate 203.22
    4-methyl-2-pentanol 341.45
    propionitrile 840.44
    vinylene carbonate 718.18
    1,1,2-trichlorotrifluoroethane 849.64
    DMS 406.38
    cumene 182.1
    2-octanol 270.24
    2-hexanone 714.76
    octyl acetate 326.96
    limonene 322.58
    1,2-dimethoxyethane 820.05
    ethyl orthosilicate 204.71
    tributyl phosphate 222.27
    diacetone alcohol 620.15
    N,N-dimethylaniline 273.68
    acrylonitrile 933.11
    aniline 407.45
    1,3-propanediol 536.31
    bromobenzene 677.37
    dibromomethane 1514.04
    1,1,2,2-tetrachloroethane 1635.12
    2-methyl-cyclohexyl acetate 409.38
    tetrabutyl urea 260.59
    diisobutyl methanol 293.51
    2-phenylethanol 431.85
    styrene 290.43
    dioctyl adipate 331.95
    dimethyl sulfate 327.45
    ethyl butyrate 605.12
    methyl lactate 259.81
    butyl lactate 372.47
    diethyl carbonate 356.36
    propanediol butyl ether 514.76
    triethyl orthoformate 343.78
    p-tert-butyltoluene 201.68
    methyl 4-tert-butylbenzoate 385.16
    morpholine 1200.86
    tert-butylamine 724.52
    n-dodecanol 169.63
    dimethoxymethane 476.3
    ethylene carbonate 577.59
    cyrene 340.44
    2-ethoxyethyl acetate 567.91
    2-ethylhexyl acetate 647.91
    1,2,4-trichlorobenzene 611.78
    4-methylpyridine 972.37
    dibutyl ether 463.8
    2,6-dimethyl-4-heptanol 293.51
    DEF 785.48
    dimethyl isosorbide 678.96
    tetrachloroethylene 1056.15
    eugenol 406.73
    triacetin 492.59
    span 80 440.52
    1,4-butanediol 217.24
    1,1-dichloroethane 1710.7
    2-methyl-1-pentanol 509.81
    methyl formate 435.21
    2-methyl-1-butanol 732.15
    n-decane 71.27
    butyronitrile 977.28
    3,7-dimethyl-1-octanol 374.84
    1-chlorooctane 293.28
    1-chlorotetradecane 111.24
    n-nonane 76.51
    undecane 53.98
    tert-butylcyclohexane 112.41
    cyclooctane 59.94
    cyclopentanol 819.54
    tetrahydropyran 1274.91
    tert-amyl methyl ether 534.41
    2,5,8-trioxanonane 654.77
    1-hexene 541.17
    2-isopropoxyethanol 423.75
    2,2,2-trifluoroethanol 210.55
    methyl butyrate 707.61

    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