2-Methyldodecanal

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  • Identifiers

    CAS number
    37596-36-4

    Molecular formula
    C13H26O

    SMILES
    CCCCCCCCCCC(C)C=O

  • Odor profile

    Citrus 73.72%
    Waxy 70.81%
    Fatty 70.43%
    Orange 54.5%
    Aldehydic 53.85%
    Fresh 53.52%
    Fruity 52.61%
    Green 45.08%
    Floral 41.92%
    Sweet 41.35%

    Scent© AI

  • Properties

    XLogP3-AA
    5.5

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point est.
    108.91 ˚C

  • Synonyms

    • 2-Methyldodecanal
    • Dodecanal, 2-methyl-
    • 37596-36-4
    • C17F5DL125
    • EINECS 253-562-6
    • UNII-C17F5DL125
    • DTXSID20865875
    • 2-METHYLDODECANAL, (+/-)-
    • methyldodecanal
    • 2-methyl dodecanal
    • SCHEMBL229409
    • DTXCID90814234
    • ISZREKMLQKLUDD-UHFFFAOYSA-N
    • AKOS006273496
    • NS00012886
    • EN300-345549
    • Q27275048
    • 253-562-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4120.54
    methanol 2355.67
    isopropanol 5744.19
    water 0.01
    ethyl acetate 8843.42
    n-propanol 4625.26
    acetone 9221.7
    n-butanol 4951.47
    acetonitrile 4080.34
    DMF 3950.48
    toluene 2344.89
    isobutanol 3864.9
    1,4-dioxane 6039.55
    methyl acetate 4328.74
    THF 11058.99
    2-butanone 8142.48
    n-pentanol 3152.83
    sec-butanol 4949.54
    n-hexane 3782.48
    ethylene glycol 104.44
    NMP 2753.02
    cyclohexane 4398.0
    DMSO 4042.56
    n-butyl acetate 9198.32
    n-octanol 1326.91
    chloroform 9169.97
    n-propyl acetate 6932.32
    acetic acid 1471.63
    dichloromethane 9569.81
    cyclohexanone 10633.74
    propylene glycol 397.8
    isopropyl acetate 5826.81
    DMAc 2546.8
    2-ethoxyethanol 2811.15
    isopentanol 4843.59
    n-heptane 1936.84
    ethyl formate 3053.35
    1,2-dichloroethane 8211.42
    n-hexanol 3837.58
    2-methoxyethanol 3824.26
    isobutyl acetate 3602.35
    tetrachloromethane 2254.1
    n-pentyl acetate 4111.18
    transcutol 8916.85
    n-heptanol 1482.07
    ethylbenzene 1512.59
    MIBK 4536.99
    2-propoxyethanol 4197.16
    tert-butanol 6902.46
    MTBE 9503.0
    2-butoxyethanol 2458.17
    propionic acid 2048.74
    o-xylene 1363.82
    formic acid 158.3
    diethyl ether 11277.02
    m-xylene 1563.65
    p-xylene 1901.49
    chlorobenzene 3171.31
    dimethyl carbonate 605.63
    n-octane 543.31
    formamide 363.25
    cyclopentanone 7577.07
    2-pentanone 9141.61
    anisole 2291.17
    cyclopentyl methyl ether 7488.79
    gamma-butyrolactone 5976.62
    1-methoxy-2-propanol 4085.34
    pyridine 5687.63
    3-pentanone 4865.64
    furfural 3784.72
    n-dodecane 190.66
    diethylene glycol 1137.57
    diisopropyl ether 3338.21
    tert-amyl alcohol 5237.12
    acetylacetone 4917.68
    n-hexadecane 236.82
    acetophenone 1964.5
    methyl propionate 4087.63
    isopentyl acetate 7340.63
    trichloroethylene 10050.97
    n-nonanol 1171.4
    cyclohexanol 5166.84
    benzyl alcohol 1416.7
    2-ethylhexanol 3306.96
    isooctanol 1521.92
    dipropyl ether 7858.34
    1,2-dichlorobenzene 2784.78
    ethyl lactate 1160.75
    propylene carbonate 3420.4
    n-methylformamide 1775.3
    2-pentanol 4370.42
    n-pentane 1937.15
    1-propoxy-2-propanol 4987.74
    1-methoxy-2-propyl acetate 4581.58
    2-(2-methoxypropoxy) propanol 1431.05
    mesitylene 1132.92
    ε-caprolactone 7212.76
    p-cymene 1109.71
    epichlorohydrin 7423.79
    1,1,1-trichloroethane 8465.44
    2-aminoethanol 563.23
    morpholine-4-carbaldehyde 3305.14
    sulfolane 5225.56
    2,2,4-trimethylpentane 588.33
    2-methyltetrahydrofuran 10488.83
    n-hexyl acetate 3934.87
    isooctane 574.46
    2-(2-butoxyethoxy)ethanol 2308.34
    sec-butyl acetate 4707.4
    tert-butyl acetate 5452.22
    decalin 1022.24
    glycerin 384.91
    diglyme 5003.08
    acrylic acid 973.29
    isopropyl myristate 1311.78
    n-butyric acid 5896.81
    acetyl acetate 2806.07
    di(2-ethylhexyl) phthalate 662.79
    ethyl propionate 5222.12
    nitromethane 3169.97
    1,2-diethoxyethane 7188.88
    benzonitrile 2648.96
    trioctyl phosphate 610.51
    1-bromopropane 8406.84
    gamma-valerolactone 7852.84
    n-decanol 776.12
    triethyl phosphate 1285.59
    4-methyl-2-pentanol 2235.05
    propionitrile 4895.06
    vinylene carbonate 2402.67
    1,1,2-trichlorotrifluoroethane 3073.78
    DMS 1549.39
    cumene 966.7
    2-octanol 1305.98
    2-hexanone 6317.01
    octyl acetate 1368.22
    limonene 2347.63
    1,2-dimethoxyethane 7664.22
    ethyl orthosilicate 1436.2
    tributyl phosphate 904.01
    diacetone alcohol 3705.04
    N,N-dimethylaniline 1278.71
    acrylonitrile 3388.61
    aniline 2277.1
    1,3-propanediol 1473.48
    bromobenzene 3670.44
    dibromomethane 7995.28
    1,1,2,2-tetrachloroethane 8519.11
    2-methyl-cyclohexyl acetate 2574.15
    tetrabutyl urea 1071.61
    diisobutyl methanol 1989.81
    2-phenylethanol 1657.23
    styrene 2023.38
    dioctyl adipate 1483.32
    dimethyl sulfate 854.44
    ethyl butyrate 6287.33
    methyl lactate 873.28
    butyl lactate 1967.89
    diethyl carbonate 2664.38
    propanediol butyl ether 1361.79
    triethyl orthoformate 3346.86
    p-tert-butyltoluene 1056.58
    methyl 4-tert-butylbenzoate 1398.86
    morpholine 8969.28
    tert-butylamine 5446.68
    n-dodecanol 574.12
    dimethoxymethane 3414.91
    ethylene carbonate 2705.71
    cyrene 956.66
    2-ethoxyethyl acetate 3560.98
    2-ethylhexyl acetate 5514.45
    1,2,4-trichlorobenzene 2719.43
    4-methylpyridine 5967.01
    dibutyl ether 5270.22
    2,6-dimethyl-4-heptanol 1989.81
    DEF 6580.82
    dimethyl isosorbide 2596.29
    tetrachloroethylene 5435.86
    eugenol 1171.9
    triacetin 1952.1
    span 80 1434.14
    1,4-butanediol 507.96
    1,1-dichloroethane 9811.31
    2-methyl-1-pentanol 2943.63
    methyl formate 999.82
    2-methyl-1-butanol 3876.78
    n-decane 484.64
    butyronitrile 7048.66
    3,7-dimethyl-1-octanol 1788.45
    1-chlorooctane 1745.21
    1-chlorotetradecane 485.9
    n-nonane 584.11
    undecane 283.51
    tert-butylcyclohexane 947.17
    cyclooctane 1093.71
    cyclopentanol 4039.97
    tetrahydropyran 13988.2
    tert-amyl methyl ether 5334.85
    2,5,8-trioxanonane 2307.42
    1-hexene 8013.61
    2-isopropoxyethanol 2538.27
    2,2,2-trifluoroethanol 338.59
    methyl butyrate 7317.29

    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