2-Methylhexanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    925-54-2

    Molecular formula
    C7H14O

    SMILES
    CCCCC(C)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.31%
    Green 80.7%
    Fatty 64.84%
    Fresh 63.03%
    Sweet 53.15%
    Aldehydic 51.46%
    Cheesy 51.17%
    Vegetable 41.61%
    Citrus 37.91%
    Pungent 36.79%

     

    Flavor
    Green 81.48%
    Fruity 70.16%
    Fatty 54.27%
    Fresh 48.07%
    Aldehydic 47.37%
    Earthy 39.87%
    Citrus 39.27%
    Ethereal 39.24%
    Nutty 37.75%
    Fat 37.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.88 (neutral)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point

    • 35.79 ˚C est.

  • Synonyms

    • 2-Methylhexanal
    • Hexanal, 2-methyl-
    • 925-54-2
    • (+/-)-2-Methylhexanal
    • 2-Methylhexanaldehyde
    • 2-methyl hexanal
    • 2-methyl-hexanal
    • UNII-4OR6YH4F1O
    • EINECS 213-118-4
    • 4OR6YH4F1O
    • 2-methyl-1-hexanal
    • 2-FORMYLHEXANE
    • 2-METHYLHEXALDEHYDE
    • .ALPHA.-METHYLHEXANAL
    • DTXSID50862473
    • .ALPHA.-METHYLCAPRONALDEHYDE
    • 2-METHYLHEXANAL, (+/-)-
    • Hexanal,2-methyl-
    • 2,5-dimethylpentanal
    • ALPHA-METHYLHEXANAL
    • SCHEMBL270382
    • ALPHA-METHYLCAPRONALDEHYDE
    • DTXCID60811230
    • CHEBI:195738
    • AKOS006278791
    • NS00042091
    • EN300-96554
    • G87031
    • Q27260301
    • 213-118-4

  • Applications

    2-Methylhexanal, CAS 925-54-2, is used primarily as an odorant and synthetic intermediate in fragrance and flavor applications. In perfumery and personal care, it functions as a fragrance ingredient or building block for more complex aroma compounds, contributing to the note profile in perfumes, soaps, and skin-care formulations. In the flavor industry, it can be evaluated as a green, fresh aroma contributor that supports background notes in certain flavor formulations where permitted. In household and cleaning products, it may be included as a fragrance component in detergents and cleaners. In industrial manufacturing, it serves as an intermediate for synthesizing other aroma-related compounds, esters, and related chemicals, or as a starting point for aldehyde transformations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2700.8
    methanol 1858.46
    isopropanol 2599.16
    water 0.46
    ethyl acetate 2239.15
    n-propanol 2203.77
    acetone 2959.3
    n-butanol 2152.98
    acetonitrile 1889.25
    DMF 1594.88
    toluene 521.16
    isobutanol 1848.48
    1,4-dioxane 1953.48
    methyl acetate 1778.22
    THF 3281.45
    2-butanone 2525.8
    n-pentanol 1309.36
    sec-butanol 2107.2
    n-hexane 486.73
    ethylene glycol 279.55
    NMP 1527.95
    cyclohexane 436.98
    DMSO 2001.85
    n-butyl acetate 2933.4
    n-octanol 676.67
    chloroform 3959.67
    n-propyl acetate 1427.17
    acetic acid 1714.11
    dichloromethane 3917.25
    cyclohexanone 2891.26
    propylene glycol 566.05
    isopropyl acetate 1245.33
    DMAc 824.09
    2-ethoxyethanol 1077.38
    isopentanol 1943.41
    n-heptane 344.14
    ethyl formate 1358.7
    1,2-dichloroethane 2327.1
    n-hexanol 2207.33
    2-methoxyethanol 1859.82
    isobutyl acetate 867.09
    tetrachloromethane 812.6
    n-pentyl acetate 1075.46
    transcutol 3666.18
    n-heptanol 708.45
    ethylbenzene 376.89
    MIBK 1104.97
    2-propoxyethanol 2167.93
    tert-butanol 2854.5
    MTBE 2064.56
    2-butoxyethanol 1025.05
    propionic acid 1688.55
    o-xylene 354.68
    formic acid 301.66
    diethyl ether 1764.04
    m-xylene 406.3
    p-xylene 500.04
    chlorobenzene 1039.52
    dimethyl carbonate 277.78
    n-octane 115.16
    formamide 410.22
    cyclopentanone 3017.96
    2-pentanone 1995.48
    anisole 678.83
    cyclopentyl methyl ether 1541.79
    gamma-butyrolactone 3095.36
    1-methoxy-2-propanol 1544.08
    pyridine 1822.78
    3-pentanone 1112.56
    furfural 2064.19
    n-dodecane 72.84
    diethylene glycol 1041.31
    diisopropyl ether 570.92
    tert-amyl alcohol 2067.77
    acetylacetone 1602.62
    n-hexadecane 81.95
    acetophenone 655.27
    methyl propionate 1214.76
    isopentyl acetate 2230.02
    trichloroethylene 4244.87
    n-nonanol 537.58
    cyclohexanol 1598.75
    benzyl alcohol 567.3
    2-ethylhexanol 1312.8
    isooctanol 579.36
    dipropyl ether 1402.58
    1,2-dichlorobenzene 969.4
    ethyl lactate 445.91
    propylene carbonate 1703.52
    n-methylformamide 1068.74
    2-pentanol 1553.01
    n-pentane 336.17
    1-propoxy-2-propanol 2075.17
    1-methoxy-2-propyl acetate 1535.11
    2-(2-methoxypropoxy) propanol 803.52
    mesitylene 283.72
    ε-caprolactone 2245.73
    p-cymene 379.52
    epichlorohydrin 2901.03
    1,1,1-trichloroethane 2654.47
    2-aminoethanol 767.39
    morpholine-4-carbaldehyde 1372.52
    sulfolane 2873.13
    2,2,4-trimethylpentane 160.48
    2-methyltetrahydrofuran 3140.61
    n-hexyl acetate 1395.14
    isooctane 156.06
    2-(2-butoxyethoxy)ethanol 1108.31
    sec-butyl acetate 896.87
    tert-butyl acetate 1281.09
    decalin 195.56
    glycerin 542.84
    diglyme 1864.7
    acrylic acid 1073.86
    isopropyl myristate 456.93
    n-butyric acid 3000.92
    acetyl acetate 905.39
    di(2-ethylhexyl) phthalate 350.14
    ethyl propionate 1002.54
    nitromethane 2223.29
    1,2-diethoxyethane 1708.03
    benzonitrile 1141.01
    trioctyl phosphate 313.91
    1-bromopropane 1981.31
    gamma-valerolactone 2895.36
    n-decanol 384.99
    triethyl phosphate 392.97
    4-methyl-2-pentanol 810.85
    propionitrile 1812.46
    vinylene carbonate 1297.08
    1,1,2-trichlorotrifluoroethane 1550.14
    DMS 640.04
    cumene 281.54
    2-octanol 527.08
    2-hexanone 1560.81
    octyl acetate 562.19
    limonene 697.15
    1,2-dimethoxyethane 1907.21
    ethyl orthosilicate 406.78
    tributyl phosphate 425.84
    diacetone alcohol 1280.23
    N,N-dimethylaniline 399.84
    acrylonitrile 1785.89
    aniline 750.77
    1,3-propanediol 1221.41
    bromobenzene 1097.63
    dibromomethane 2810.75
    1,1,2,2-tetrachloroethane 2859.81
    2-methyl-cyclohexyl acetate 872.52
    tetrabutyl urea 450.71
    diisobutyl methanol 659.74
    2-phenylethanol 847.46
    styrene 485.94
    dioctyl adipate 601.22
    dimethyl sulfate 427.6
    ethyl butyrate 1497.41
    methyl lactate 491.99
    butyl lactate 788.26
    diethyl carbonate 769.19
    propanediol butyl ether 949.92
    triethyl orthoformate 794.49
    p-tert-butyltoluene 362.87
    methyl 4-tert-butylbenzoate 596.2
    morpholine 2494.85
    tert-butylamine 1917.04
    n-dodecanol 294.21
    dimethoxymethane 874.44
    ethylene carbonate 1106.87
    cyrene 522.54
    2-ethoxyethyl acetate 1080.73
    2-ethylhexyl acetate 1578.29
    1,2,4-trichlorobenzene 1017.03
    4-methylpyridine 1734.18
    dibutyl ether 1051.61
    2,6-dimethyl-4-heptanol 659.74
    DEF 1507.54
    dimethyl isosorbide 1244.75
    tetrachloroethylene 1924.59
    eugenol 628.5
    triacetin 823.37
    span 80 849.12
    1,4-butanediol 444.97
    1,1-dichloroethane 3205.0
    2-methyl-1-pentanol 1120.4
    methyl formate 754.06
    2-methyl-1-butanol 1627.31
    n-decane 131.5
    butyronitrile 2353.67
    3,7-dimethyl-1-octanol 766.34
    1-chlorooctane 504.72
    1-chlorotetradecane 181.87
    n-nonane 143.22
    undecane 93.99
    tert-butylcyclohexane 212.59
    cyclooctane 129.19
    cyclopentanol 1870.45
    tetrahydropyran 2917.34
    tert-amyl methyl ether 1194.28
    2,5,8-trioxanonane 1077.0
    1-hexene 1429.09
    2-isopropoxyethanol 869.49
    2,2,2-trifluoroethanol 392.64
    methyl butyrate 1574.61

    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