Dodecanal, 11(or 12)-methyl-

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  • Identifiers

    CAS number
    92168-98-4

    Molecular formula
    C13H26O

    SMILES
    CC(C)CCCCCCCCCC=O

  • Odor profile

    Fragrance
    Citrus 72.7%
    Fatty 70.65%
    Waxy 70.38%
    Aldehydic 55.47%
    Sweet 52.51%
    Fresh 52.12%
    Orange 49.74%
    Green 46.16%
    Floral 43.52%
    Fruity 41.35%

     

    Flavor
    Waxy 71.06%
    Citrus 60.31%
    Aldehydic 55.74%
    Fresh 52.85%
    Floral 51.7%
    Fatty 44.59%
    Fat 43.39%
    Soapy 42.39%
    Rose 37.71%
    Orange 37.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.41 (neutral)

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 112.01 ˚C est.

  • Synonyms

    • 11-methyldodecanal
    • 92168-98-4
    • Dodecanal, 11-methyl-
    • Dodecanal, 11(or 12)-methyl-
    • 61497-46-9
    • 71566-52-4
    • DTXSID2072386
    • Isotridecan-1-al
    • isotridecanal
    • i-tri decanal
    • EINECS 262-820-7
    • 11-methyl dodecanal
    • SCHEMBL2523320
    • DTXCID7047065
    • OUFCBJZGDJFSIK-UHFFFAOYSA-N
    • DTXSID701055415
    • DB-301287
    • NS00124195

  • Applications

    Dodecanal, 11(or 12)-methyl- (CAS 92168-98-4) is a branched C12 aldehyde primarily used as a fragrance ingredient and odorant in perfumery, cosmetics, and household products. It is commonly employed as an aroma chemical and may serve as a fragrance intermediate for synthesizing other aroma compounds. In industrial manufacturing, it can provide a lasting scent in cleaning and laundry products. It is also considered as a fragrance-release additive in polymers and coatings to impart or retain odor. Additionally, it may be evaluated for flavor-related formulations in certain contexts, depending on regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2739.37
    methanol 1502.31
    isopropanol 3531.79
    water 0.01
    ethyl acetate 4103.91
    n-propanol 2862.67
    acetone 4693.0
    n-butanol 3126.93
    acetonitrile 1666.69
    DMF 1800.04
    toluene 1208.09
    isobutanol 2338.54
    1,4-dioxane 3410.74
    methyl acetate 1957.75
    THF 7809.91
    2-butanone 4164.4
    n-pentanol 2088.67
    sec-butanol 2900.57
    n-hexane 2320.06
    ethylene glycol 80.3
    NMP 1392.96
    cyclohexane 2440.86
    DMSO 2491.61
    n-butyl acetate 4442.34
    n-octanol 773.87
    chloroform 4542.06
    n-propyl acetate 3290.15
    acetic acid 779.45
    dichloromethane 4465.93
    cyclohexanone 5366.4
    propylene glycol 305.38
    isopropyl acetate 2882.15
    DMAc 1232.78
    2-ethoxyethanol 1781.24
    isopentanol 3037.58
    n-heptane 1195.59
    ethyl formate 1332.75
    1,2-dichloroethane 3930.78
    n-hexanol 2551.91
    2-methoxyethanol 2349.9
    isobutyl acetate 1909.22
    tetrachloromethane 1051.95
    n-pentyl acetate 1936.25
    transcutol 5800.46
    n-heptanol 886.38
    ethylbenzene 778.01
    MIBK 2583.75
    2-propoxyethanol 2816.07
    tert-butanol 4189.41
    MTBE 5137.24
    2-butoxyethanol 1476.83
    propionic acid 1078.66
    o-xylene 718.82
    formic acid 87.23
    diethyl ether 6022.97
    m-xylene 865.05
    p-xylene 966.87
    chlorobenzene 1453.5
    dimethyl carbonate 281.85
    n-octane 295.39
    formamide 175.48
    cyclopentanone 4081.15
    2-pentanone 4768.16
    anisole 1199.99
    cyclopentyl methyl ether 4488.61
    gamma-butyrolactone 3047.51
    1-methoxy-2-propanol 2676.01
    pyridine 2620.83
    3-pentanone 2368.24
    furfural 1862.67
    n-dodecane 111.05
    diethylene glycol 852.52
    diisopropyl ether 1819.96
    tert-amyl alcohol 2960.89
    acetylacetone 2565.63
    n-hexadecane 135.42
    acetophenone 1012.63
    methyl propionate 1897.44
    isopentyl acetate 3693.87
    trichloroethylene 4612.92
    n-nonanol 694.41
    cyclohexanol 3181.21
    benzyl alcohol 797.71
    2-ethylhexanol 1980.28
    isooctanol 883.65
    dipropyl ether 4547.54
    1,2-dichlorobenzene 1285.94
    ethyl lactate 654.77
    propylene carbonate 1752.22
    n-methylformamide 792.1
    2-pentanol 2705.5
    n-pentane 1172.37
    1-propoxy-2-propanol 3196.04
    1-methoxy-2-propyl acetate 2547.3
    2-(2-methoxypropoxy) propanol 950.28
    mesitylene 644.69
    ε-caprolactone 3547.73
    p-cymene 609.46
    epichlorohydrin 4120.41
    1,1,1-trichloroethane 3856.83
    2-aminoethanol 413.01
    morpholine-4-carbaldehyde 1865.86
    sulfolane 2953.68
    2,2,4-trimethylpentane 360.87
    2-methyltetrahydrofuran 6293.18
    n-hexyl acetate 2105.51
    isooctane 348.29
    2-(2-butoxyethoxy)ethanol 1548.81
    sec-butyl acetate 2401.74
    tert-butyl acetate 2969.27
    decalin 609.82
    glycerin 277.77
    diglyme 3021.22
    acrylic acid 483.8
    isopropyl myristate 740.49
    n-butyric acid 3173.88
    acetyl acetate 1290.56
    di(2-ethylhexyl) phthalate 399.98
    ethyl propionate 2489.22
    nitromethane 1434.09
    1,2-diethoxyethane 3995.68
    benzonitrile 1188.5
    trioctyl phosphate 360.36
    1-bromopropane 4295.66
    gamma-valerolactone 4226.95
    n-decanol 479.54
    triethyl phosphate 720.85
    4-methyl-2-pentanol 1412.93
    propionitrile 2112.04
    vinylene carbonate 1125.49
    1,1,2-trichlorotrifluoroethane 1744.92
    DMS 772.66
    cumene 532.23
    2-octanol 694.62
    2-hexanone 3508.21
    octyl acetate 771.9
    limonene 1344.42
    1,2-dimethoxyethane 4202.3
    ethyl orthosilicate 822.18
    tributyl phosphate 528.39
    diacetone alcohol 2230.45
    N,N-dimethylaniline 699.68
    acrylonitrile 1438.59
    aniline 1196.53
    1,3-propanediol 995.63
    bromobenzene 1711.25
    dibromomethane 3908.12
    1,1,2,2-tetrachloroethane 4151.68
    2-methyl-cyclohexyl acetate 1525.68
    tetrabutyl urea 617.01
    diisobutyl methanol 1210.32
    2-phenylethanol 1002.5
    styrene 967.53
    dioctyl adipate 869.87
    dimethyl sulfate 410.04
    ethyl butyrate 3149.44
    methyl lactate 484.77
    butyl lactate 1054.41
    diethyl carbonate 1303.95
    propanediol butyl ether 872.06
    triethyl orthoformate 1806.56
    p-tert-butyltoluene 602.56
    methyl 4-tert-butylbenzoate 809.07
    morpholine 5333.62
    tert-butylamine 3188.93
    n-dodecanol 358.94
    dimethoxymethane 1850.06
    ethylene carbonate 1260.84
    cyrene 638.97
    2-ethoxyethyl acetate 1784.53
    2-ethylhexyl acetate 2837.48
    1,2,4-trichlorobenzene 1291.34
    4-methylpyridine 2745.75
    dibutyl ether 2872.35
    2,6-dimethyl-4-heptanol 1210.32
    DEF 2973.72
    dimethyl isosorbide 1704.87
    tetrachloroethylene 2620.16
    eugenol 668.97
    triacetin 1138.45
    span 80 946.51
    1,4-butanediol 340.7
    1,1-dichloroethane 4854.06
    2-methyl-1-pentanol 1796.46
    methyl formate 437.69
    2-methyl-1-butanol 2368.5
    n-decane 273.72
    butyronitrile 3225.78
    3,7-dimethyl-1-octanol 1067.34
    1-chlorooctane 941.99
    1-chlorotetradecane 282.84
    n-nonane 329.04
    undecane 163.62
    tert-butylcyclohexane 566.62
    cyclooctane 641.4
    cyclopentanol 2504.38
    tetrahydropyran 7999.36
    tert-amyl methyl ether 2918.77
    2,5,8-trioxanonane 1526.71
    1-hexene 4576.97
    2-isopropoxyethanol 1587.99
    2,2,2-trifluoroethanol 163.0
    methyl butyrate 3344.6

    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