Dodecanoic acid, 1-methylpentyl ester

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  • Identifiers

    CAS number
    55194-05-3

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCCCC(=O)OC(C)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 73.72%
    Fatty 69.32%
    Fruity 66.36%
    Waxy 61.51%
    Winey 49.06%
    Cognac 46.13%
    Floral 44.83%
    Creamy 37.71%
    Brandy 36.03%
    Fermented 32.76%

     

    Flavor
    Waxy 56.39%
    Oily 53.91%
    Fatty 48.99%
    Soapy 39.51%
    Mild 36.7%
    Fruity 36.28%
    Fat 35.91%
    Coconut 34.79%
    Creamy 31.25%
    Floral 30.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.19 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 142.86 ˚C est.

  • Synonyms

    • Dodecanoic acid, 1-methylpentyl ester
    • 55194-05-3
    • EINECS 259-520-3
    • DTXSID00886129
    • RefChem:590222
    • DTXCID601025471
    • hexan-2-yl dodecanoate
    • sec-Hexyl laurate
    • SCHEMBL1487489
    • HKJSIRGFHAJVGR-UHFFFAOYSA-N
    • dodecanoic acid 1-methyl-pentyl ester
    • NS00013779
    • 55194-05-3

  • Applications

    Dodecanoic acid, 1-methylpentyl ester (CAS 55194-05-3) is used across a range of applications in industry and cosmetics: as an emollient and solvent in cosmetic and personal care formulations; as a fragrance ingredient and potential fixative in perfumery; as a surfactant and solvent in detergents, cleaners, and household products; as a plasticizer and processing aid in coatings, inks, and polymer formulations; as a lubricant and processing aid in industrial manufacturing; and as an intermediate or solvent in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3501.12
    methanol 2603.66
    isopropanol 4526.2
    water 0.09
    ethyl acetate 8778.86
    n-propanol 4093.63
    acetone 9748.09
    n-butanol 4283.19
    acetonitrile 3739.7
    DMF 7105.07
    toluene 3226.2
    isobutanol 3995.24
    1,4-dioxane 6948.76
    methyl acetate 5158.63
    THF 11869.23
    2-butanone 8177.21
    n-pentanol 2690.05
    sec-butanol 4517.73
    n-hexane 2349.01
    ethylene glycol 121.0
    NMP 7815.58
    cyclohexane 4913.76
    DMSO 6185.58
    n-butyl acetate 7357.96
    n-octanol 1668.77
    chloroform 11739.49
    n-propyl acetate 7407.4
    acetic acid 2318.2
    dichloromethane 12205.14
    cyclohexanone 16252.32
    propylene glycol 404.48
    isopropyl acetate 6840.29
    DMAc 6761.79
    2-ethoxyethanol 2752.19
    isopentanol 4667.1
    n-heptane 1113.68
    ethyl formate 3393.67
    1,2-dichloroethane 10159.24
    n-hexanol 2495.79
    2-methoxyethanol 3810.48
    isobutyl acetate 4308.15
    tetrachloromethane 2869.02
    n-pentyl acetate 6200.23
    transcutol 9232.87
    n-heptanol 1498.51
    ethylbenzene 1922.83
    MIBK 5741.08
    2-propoxyethanol 3304.1
    tert-butanol 5551.38
    MTBE 9170.68
    2-butoxyethanol 2645.66
    propionic acid 2779.29
    o-xylene 2181.96
    formic acid 284.09
    diethyl ether 8832.99
    m-xylene 2053.93
    p-xylene 2910.74
    chlorobenzene 4677.14
    dimethyl carbonate 1194.97
    n-octane 403.41
    formamide 680.96
    cyclopentanone 11723.79
    2-pentanone 8856.3
    anisole 2965.13
    cyclopentyl methyl ether 8554.74
    gamma-butyrolactone 9173.62
    1-methoxy-2-propanol 3821.53
    pyridine 7729.68
    3-pentanone 5813.08
    furfural 5544.58
    n-dodecane 193.27
    diethylene glycol 1068.69
    diisopropyl ether 3155.93
    tert-amyl alcohol 5265.73
    acetylacetone 6789.94
    n-hexadecane 244.46
    acetophenone 3082.89
    methyl propionate 4837.76
    isopentyl acetate 6784.07
    trichloroethylene 13675.89
    n-nonanol 1465.87
    cyclohexanol 6521.99
    benzyl alcohol 1803.5
    2-ethylhexanol 2418.64
    isooctanol 1546.95
    dipropyl ether 4929.77
    1,2-dichlorobenzene 4331.24
    ethyl lactate 1453.64
    propylene carbonate 5374.57
    n-methylformamide 2690.84
    2-pentanol 3996.68
    n-pentane 1455.73
    1-propoxy-2-propanol 3571.08
    1-methoxy-2-propyl acetate 4472.19
    2-(2-methoxypropoxy) propanol 1809.06
    mesitylene 1497.06
    ε-caprolactone 11113.55
    p-cymene 1245.86
    epichlorohydrin 9652.86
    1,1,1-trichloroethane 10609.56
    2-aminoethanol 633.71
    morpholine-4-carbaldehyde 6072.7
    sulfolane 9854.83
    2,2,4-trimethylpentane 647.76
    2-methyltetrahydrofuran 12584.63
    n-hexyl acetate 6244.8
    isooctane 441.84
    2-(2-butoxyethoxy)ethanol 2746.62
    sec-butyl acetate 5409.55
    tert-butyl acetate 6963.01
    decalin 1257.03
    glycerin 449.3
    diglyme 6231.85
    acrylic acid 1470.93
    isopropyl myristate 1824.61
    n-butyric acid 6894.44
    acetyl acetate 3850.22
    di(2-ethylhexyl) phthalate 1102.17
    ethyl propionate 5881.67
    nitromethane 5241.1
    1,2-diethoxyethane 6175.9
    benzonitrile 3486.73
    trioctyl phosphate 945.36
    1-bromopropane 8094.33
    gamma-valerolactone 12335.72
    n-decanol 906.75
    triethyl phosphate 1575.51
    4-methyl-2-pentanol 2163.92
    propionitrile 4125.54
    vinylene carbonate 4014.77
    1,1,2-trichlorotrifluoroethane 4510.48
    DMS 2807.15
    cumene 1275.66
    2-octanol 1502.33
    2-hexanone 6118.45
    octyl acetate 2169.11
    limonene 2722.09
    1,2-dimethoxyethane 7459.93
    ethyl orthosilicate 1675.88
    tributyl phosphate 1350.06
    diacetone alcohol 4570.22
    N,N-dimethylaniline 2010.14
    acrylonitrile 3480.19
    aniline 2900.71
    1,3-propanediol 1606.34
    bromobenzene 5588.24
    dibromomethane 9189.23
    1,1,2,2-tetrachloroethane 12371.39
    2-methyl-cyclohexyl acetate 3314.75
    tetrabutyl urea 1868.4
    diisobutyl methanol 1508.2
    2-phenylethanol 1794.52
    styrene 2580.63
    dioctyl adipate 2389.52
    dimethyl sulfate 1891.61
    ethyl butyrate 5648.77
    methyl lactate 1284.78
    butyl lactate 2829.64
    diethyl carbonate 2553.84
    propanediol butyl ether 1941.04
    triethyl orthoformate 3341.52
    p-tert-butyltoluene 1147.36
    methyl 4-tert-butylbenzoate 2476.82
    morpholine 10129.61
    tert-butylamine 4092.68
    n-dodecanol 652.87
    dimethoxymethane 3919.93
    ethylene carbonate 4527.88
    cyrene 1521.27
    2-ethoxyethyl acetate 4898.55
    2-ethylhexyl acetate 5336.81
    1,2,4-trichlorobenzene 4470.19
    4-methylpyridine 8342.88
    dibutyl ether 5421.64
    2,6-dimethyl-4-heptanol 1508.2
    DEF 9016.41
    dimethyl isosorbide 3459.83
    tetrachloroethylene 8118.42
    eugenol 1838.49
    triacetin 3599.6
    span 80 2031.65
    1,4-butanediol 594.67
    1,1-dichloroethane 10611.44
    2-methyl-1-pentanol 2768.91
    methyl formate 1573.42
    2-methyl-1-butanol 4143.59
    n-decane 477.73
    butyronitrile 5710.78
    3,7-dimethyl-1-octanol 1894.71
    1-chlorooctane 2133.65
    1-chlorotetradecane 612.39
    n-nonane 518.18
    undecane 278.03
    tert-butylcyclohexane 922.74
    cyclooctane 1110.35
    cyclopentanol 5740.05
    tetrahydropyran 14979.55
    tert-amyl methyl ether 6088.14
    2,5,8-trioxanonane 2982.51
    1-hexene 4901.06
    2-isopropoxyethanol 2572.58
    2,2,2-trifluoroethanol 742.97
    methyl butyrate 8506.77

    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