4-Methylnonanal

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  • Identifiers

    CAS number
    94088-30-9

    Molecular formula
    C10H20O

    SMILES
    CCCCCC(C)CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Citrus 81.6%
    Green 76.32%
    Waxy 70.44%
    Aldehydic 68.24%
    Fresh 67.24%
    Floral 67.11%
    Fatty 66.28%
    Sweet 65.19%
    Orange 61.72%
    Fruity 52.54%

     

    Flavor
    Waxy 72.29%
    Citrus 69.05%
    Aldehydic 66.16%
    Green 60.79%
    Fresh 59.08%
    Floral 54.97%
    Fatty 50.96%
    Fat 48.45%
    Orange 44.55%
    Rose 43.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.83 (neutral)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 78.85 ˚C est.

  • Synonyms

    • 4-methylnonanal
    • 4-Methylnonan-1-al
    • Nonanal, 4-methyl-
    • 94088-30-9
    • 4URL39XW4J
    • EINECS 302-029-7
    • 4-Methyl-nonanal
    • UNII-4URL39XW4J
    • SCHEMBL1410354
    • SCHEMBL1410356
    • DTXSID40916530
    • MFCD24680842
    • NS00064343
    • A1-31710
    • 94088-30-9

  • Applications

    4-Methylnonanal (CAS 94088-30-9) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, and is commonly evaluated as a synthetic precursor for related aroma compounds; it may be incorporated into household cleaning products and other formulations to impart a characteristic scent; in industrial manufacturing it serves as an intermediate in the synthesis of fragrance molecules and can function as a building block for fragrance-related polymers or plastics; it may be evaluated for flavor applications where permitted by regulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11337.2
    methanol 8190.76
    isopropanol 10422.92
    water 0.11
    ethyl acetate 7105.74
    n-propanol 9198.74
    acetone 9857.59
    n-butanol 8321.32
    acetonitrile 5462.8
    DMF 4307.65
    toluene 1926.59
    isobutanol 6156.9
    1,4-dioxane 7081.82
    methyl acetate 4029.78
    THF 10753.16
    2-butanone 7286.18
    n-pentanol 5018.52
    sec-butanol 6864.89
    n-hexane 2274.6
    ethylene glycol 576.11
    NMP 2032.9
    cyclohexane 2244.58
    DMSO 5514.17
    n-butyl acetate 6922.85
    n-octanol 1214.66
    chloroform 8021.13
    n-propyl acetate 4429.17
    acetic acid 2626.6
    dichloromethane 7530.28
    cyclohexanone 7851.15
    propylene glycol 1365.13
    isopropyl acetate 4004.13
    DMAc 1748.84
    2-ethoxyethanol 3749.81
    isopentanol 6662.79
    n-heptane 1108.6
    ethyl formate 3206.41
    1,2-dichloroethane 6146.55
    n-hexanol 6262.63
    2-methoxyethanol 6526.73
    isobutyl acetate 2245.02
    tetrachloromethane 1662.63
    n-pentyl acetate 2224.42
    transcutol 8209.06
    n-heptanol 1593.88
    ethylbenzene 1000.56
    MIBK 3192.84
    2-propoxyethanol 6010.73
    tert-butanol 9924.13
    MTBE 7422.42
    2-butoxyethanol 2375.97
    propionic acid 3090.3
    o-xylene 887.56
    formic acid 473.72
    diethyl ether 9284.92
    m-xylene 1255.87
    p-xylene 1153.11
    chlorobenzene 2205.06
    dimethyl carbonate 479.19
    n-octane 268.86
    formamide 790.96
    cyclopentanone 6071.52
    2-pentanone 7059.88
    anisole 1642.98
    cyclopentyl methyl ether 5494.76
    gamma-butyrolactone 5040.39
    1-methoxy-2-propanol 5187.08
    pyridine 5198.0
    3-pentanone 3230.02
    furfural 3066.35
    n-dodecane 106.45
    diethylene glycol 2284.45
    diisopropyl ether 2114.47
    tert-amyl alcohol 5417.53
    acetylacetone 3618.8
    n-hexadecane 126.04
    acetophenone 1211.88
    methyl propionate 3387.52
    isopentyl acetate 4802.91
    trichloroethylene 7468.91
    n-nonanol 953.46
    cyclohexanol 5562.27
    benzyl alcohol 1384.88
    2-ethylhexanol 3353.16
    isooctanol 1196.29
    dipropyl ether 5416.94
    1,2-dichlorobenzene 1548.59
    ethyl lactate 897.65
    propylene carbonate 2549.33
    n-methylformamide 2669.88
    2-pentanol 5553.9
    n-pentane 1546.23
    1-propoxy-2-propanol 5501.44
    1-methoxy-2-propyl acetate 3490.53
    2-(2-methoxypropoxy) propanol 1180.83
    mesitylene 730.66
    ε-caprolactone 5022.11
    p-cymene 707.37
    epichlorohydrin 6737.69
    1,1,1-trichloroethane 5332.28
    2-aminoethanol 2127.07
    morpholine-4-carbaldehyde 2979.29
    sulfolane 3701.51
    2,2,4-trimethylpentane 381.19
    2-methyltetrahydrofuran 9176.14
    n-hexyl acetate 2403.19
    isooctane 384.24
    2-(2-butoxyethoxy)ethanol 2017.83
    sec-butyl acetate 2608.88
    tert-butyl acetate 3384.73
    decalin 537.76
    glycerin 1028.59
    diglyme 4030.39
    acrylic acid 1526.01
    isopropyl myristate 708.36
    n-butyric acid 7102.39
    acetyl acetate 1899.04
    di(2-ethylhexyl) phthalate 458.54
    ethyl propionate 3083.51
    nitromethane 3629.59
    1,2-diethoxyethane 5106.94
    benzonitrile 2136.12
    trioctyl phosphate 416.06
    1-bromopropane 6117.14
    gamma-valerolactone 6583.56
    n-decanol 652.32
    triethyl phosphate 687.04
    4-methyl-2-pentanol 2297.52
    propionitrile 5427.84
    vinylene carbonate 2012.75
    1,1,2-trichlorotrifluoroethane 2845.17
    DMS 946.83
    cumene 593.4
    2-octanol 1039.52
    2-hexanone 4790.5
    octyl acetate 812.77
    limonene 1548.03
    1,2-dimethoxyethane 6969.56
    ethyl orthosilicate 795.79
    tributyl phosphate 585.93
    diacetone alcohol 2991.37
    N,N-dimethylaniline 805.62
    acrylonitrile 4269.04
    aniline 2415.55
    1,3-propanediol 3519.42
    bromobenzene 2273.83
    dibromomethane 6492.35
    1,1,2,2-tetrachloroethane 5530.18
    2-methyl-cyclohexyl acetate 1558.02
    tetrabutyl urea 643.87
    diisobutyl methanol 1579.27
    2-phenylethanol 1741.25
    styrene 1375.73
    dioctyl adipate 867.83
    dimethyl sulfate 577.35
    ethyl butyrate 3796.26
    methyl lactate 908.7
    butyl lactate 1322.54
    diethyl carbonate 1492.19
    propanediol butyl ether 1489.22
    triethyl orthoformate 1854.53
    p-tert-butyltoluene 670.2
    methyl 4-tert-butylbenzoate 823.73
    morpholine 10605.17
    tert-butylamine 6840.74
    n-dodecanol 478.07
    dimethoxymethane 3355.25
    ethylene carbonate 2124.08
    cyrene 748.69
    2-ethoxyethyl acetate 2203.85
    2-ethylhexyl acetate 3407.27
    1,2,4-trichlorobenzene 1561.18
    4-methylpyridine 5069.43
    dibutyl ether 3047.54
    2,6-dimethyl-4-heptanol 1579.27
    DEF 4446.69
    dimethyl isosorbide 1809.64
    tetrachloroethylene 3891.12
    eugenol 818.79
    triacetin 1156.18
    span 80 1242.54
    1,4-butanediol 1126.13
    1,1-dichloroethane 7996.15
    2-methyl-1-pentanol 3399.47
    methyl formate 1384.43
    2-methyl-1-butanol 5085.25
    n-decane 240.54
    butyronitrile 7696.07
    3,7-dimethyl-1-octanol 1437.39
    1-chlorooctane 954.66
    1-chlorotetradecane 260.84
    n-nonane 289.91
    undecane 152.98
    tert-butylcyclohexane 540.56
    cyclooctane 530.49
    cyclopentanol 4952.2
    tetrahydropyran 12822.51
    tert-amyl methyl ether 3806.56
    2,5,8-trioxanonane 1883.8
    1-hexene 6095.56
    2-isopropoxyethanol 2568.62
    2,2,2-trifluoroethanol 442.15
    methyl butyrate 4637.01

    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