3-Methyloctanal

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  • Identifiers

    CAS number
    25882-73-9

    Molecular formula
    C9H18O

    SMILES
    CCCCCC(C)CC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 86.68%
    Citrus 72.47%
    Fatty 65.65%
    Fresh 64.8%
    Aldehydic 63.01%
    Sweet 61.25%
    Fruity 59.4%
    Waxy 57.96%
    Floral 54.55%
    Orange 51.69%

     

    Flavor
    Waxy 68.17%
    Green 66.88%
    Citrus 64.0%
    Aldehydic 62.22%
    Fresh 56.73%
    Floral 52.23%
    Fatty 51.2%
    Fat 48.44%
    Orange 41.87%
    Herbal 41.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.69 (neutral)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 63.14 ˚C est.

  • Synonyms

    • 3-Methyloctanal
    • 25882-73-9
    • EINECS 247-312-5
    • DTXSID90948765
    • RefChem:94937
    • DTXCID201376979
    • 247-312-5
    • MFCD00462683
    • heptane-2-acetaldehyde
    • SCHEMBL1409720
    • SCHEMBL1409723
    • SCHEMBL7285717
    • SCHEMBL10632005
    • ZOBGMJLKAHONRM-UHFFFAOYSA-N
    • AKOS006272793
    • NS00047698
    • 25882-73-9

  • Applications

    3-Methyloctanal (CAS 25882-73-9) is commonly used in the fragrance and flavor sectors as an odorant and a key building block for synthesizing other aroma compounds; it may also serve as a precursor for flavoring materials in the food industry. In cosmetics and personal care, it can contribute to or enhance fragrance in products such as perfumes, lotions, and shampoos. In household cleaning products, it may be included as a fragrance ingredient to provide a pleasant scent. In industrial manufacturing, 3-Methyloctanal commonly functions as an intermediate in the synthesis of aroma and flavor compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13239.61
    methanol 10456.68
    isopropanol 13116.73
    water 0.23
    ethyl acetate 7566.56
    n-propanol 10924.62
    acetone 13586.83
    n-butanol 10023.5
    acetonitrile 7712.38
    DMF 5725.06
    toluene 1977.74
    isobutanol 7805.65
    1,4-dioxane 7704.35
    methyl acetate 4610.01
    THF 12921.06
    2-butanone 8369.27
    n-pentanol 5529.96
    sec-butanol 8302.37
    n-hexane 2743.03
    ethylene glycol 790.48
    NMP 3242.79
    cyclohexane 2866.27
    DMSO 7460.59
    n-butyl acetate 7564.63
    n-octanol 1605.03
    chloroform 10079.89
    n-propyl acetate 4724.93
    acetic acid 4422.94
    dichloromethane 9354.22
    cyclohexanone 10716.67
    propylene glycol 1789.91
    isopropyl acetate 4178.56
    DMAc 2056.27
    2-ethoxyethanol 3717.95
    isopentanol 7586.66
    n-heptane 1462.39
    ethyl formate 3859.39
    1,2-dichloroethane 6947.0
    n-hexanol 7238.72
    2-methoxyethanol 7325.81
    isobutyl acetate 2373.72
    tetrachloromethane 2177.34
    n-pentyl acetate 2470.56
    transcutol 8642.25
    n-heptanol 1840.15
    ethylbenzene 1056.73
    MIBK 3480.3
    2-propoxyethanol 6285.86
    tert-butanol 11309.3
    MTBE 7489.46
    2-butoxyethanol 2462.45
    propionic acid 4717.35
    o-xylene 964.33
    formic acid 771.08
    diethyl ether 8878.13
    m-xylene 1299.36
    p-xylene 1322.22
    chlorobenzene 2832.33
    dimethyl carbonate 613.92
    n-octane 340.69
    formamide 1221.99
    cyclopentanone 8607.51
    2-pentanone 8190.88
    anisole 1727.08
    cyclopentyl methyl ether 6574.53
    gamma-butyrolactone 7548.01
    1-methoxy-2-propanol 5561.19
    pyridine 6233.64
    3-pentanone 3856.66
    furfural 4259.9
    n-dodecane 141.71
    diethylene glycol 2466.62
    diisopropyl ether 2182.71
    tert-amyl alcohol 6455.57
    acetylacetone 4455.89
    n-hexadecane 166.48
    acetophenone 1364.4
    methyl propionate 3997.5
    isopentyl acetate 5114.89
    trichloroethylene 9916.14
    n-nonanol 1205.07
    cyclohexanol 7584.43
    benzyl alcohol 1487.68
    2-ethylhexanol 3787.65
    isooctanol 1367.2
    dipropyl ether 5537.51
    1,2-dichlorobenzene 1995.36
    ethyl lactate 947.02
    propylene carbonate 3674.08
    n-methylformamide 3903.24
    2-pentanol 6548.46
    n-pentane 1906.06
    1-propoxy-2-propanol 5850.66
    1-methoxy-2-propyl acetate 3619.49
    2-(2-methoxypropoxy) propanol 1325.54
    mesitylene 796.6
    ε-caprolactone 6674.21
    p-cymene 816.38
    epichlorohydrin 8045.89
    1,1,1-trichloroethane 6860.07
    2-aminoethanol 2677.31
    morpholine-4-carbaldehyde 3624.26
    sulfolane 5963.53
    2,2,4-trimethylpentane 451.08
    2-methyltetrahydrofuran 11445.86
    n-hexyl acetate 2939.11
    isooctane 456.76
    2-(2-butoxyethoxy)ethanol 2190.19
    sec-butyl acetate 2557.97
    tert-butyl acetate 3573.88
    decalin 669.52
    glycerin 1330.4
    diglyme 4277.6
    acrylic acid 2501.09
    isopropyl myristate 822.46
    n-butyric acid 9593.95
    acetyl acetate 2277.86
    di(2-ethylhexyl) phthalate 540.8
    ethyl propionate 3161.65
    nitromethane 5956.04
    1,2-diethoxyethane 4884.45
    benzonitrile 2601.35
    trioctyl phosphate 495.6
    1-bromopropane 6359.38
    gamma-valerolactone 8909.01
    n-decanol 809.92
    triethyl phosphate 723.73
    4-methyl-2-pentanol 2552.1
    propionitrile 6510.22
    vinylene carbonate 2846.0
    1,1,2-trichlorotrifluoroethane 3730.91
    DMS 1139.54
    cumene 656.47
    2-octanol 1284.9
    2-hexanone 5358.1
    octyl acetate 980.8
    limonene 1898.46
    1,2-dimethoxyethane 6822.72
    ethyl orthosilicate 813.07
    tributyl phosphate 693.22
    diacetone alcohol 3417.2
    N,N-dimethylaniline 862.66
    acrylonitrile 5498.18
    aniline 2839.7
    1,3-propanediol 4357.44
    bromobenzene 2818.67
    dibromomethane 7650.04
    1,1,2,2-tetrachloroethane 7136.08
    2-methyl-cyclohexyl acetate 1743.11
    tetrabutyl urea 778.95
    diisobutyl methanol 1787.49
    2-phenylethanol 1936.8
    styrene 1472.95
    dioctyl adipate 1022.77
    dimethyl sulfate 836.14
    ethyl butyrate 3894.19
    methyl lactate 1124.6
    butyl lactate 1562.16
    diethyl carbonate 1580.36
    propanediol butyl ether 1808.42
    triethyl orthoformate 1871.34
    p-tert-butyltoluene 773.31
    methyl 4-tert-butylbenzoate 960.26
    morpholine 11677.22
    tert-butylamine 7924.06
    n-dodecanol 587.3
    dimethoxymethane 3598.75
    ethylene carbonate 2900.97
    cyrene 868.9
    2-ethoxyethyl acetate 2338.25
    2-ethylhexyl acetate 3656.44
    1,2,4-trichlorobenzene 2086.28
    4-methylpyridine 5888.07
    dibutyl ether 3381.52
    2,6-dimethyl-4-heptanol 1787.49
    DEF 5048.26
    dimethyl isosorbide 2077.45
    tetrachloroethylene 4997.35
    eugenol 946.72
    triacetin 1346.74
    span 80 1499.69
    1,4-butanediol 1321.95
    1,1-dichloroethane 9306.86
    2-methyl-1-pentanol 3764.35
    methyl formate 2136.66
    2-methyl-1-butanol 5983.18
    n-decane 304.0
    butyronitrile 8915.79
    3,7-dimethyl-1-octanol 1703.83
    1-chlorooctane 1177.9
    1-chlorotetradecane 324.94
    n-nonane 372.04
    undecane 199.5
    tert-butylcyclohexane 661.86
    cyclooctane 662.54
    cyclopentanol 7426.49
    tetrahydropyran 14961.22
    tert-amyl methyl ether 3829.31
    2,5,8-trioxanonane 2032.42
    1-hexene 6881.14
    2-isopropoxyethanol 2575.34
    2,2,2-trifluoroethanol 794.74
    methyl butyrate 4905.68

    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