Octan-2-yl dodecanoate

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  • Identifiers

    CAS number
    55194-07-5

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCC(=O)OC(C)CCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 71.92%
    Fatty 71.1%
    Waxy 65.45%
    Fruity 57.48%
    Floral 44.29%
    Winey 37.9%
    Cognac 37.37%
    Creamy 36.86%
    Dairy 32.06%
    Sweet 30.87%

     

    Flavor
    Waxy 56.74%
    Oily 52.14%
    Fatty 50.77%
    Mild 39.84%
    Fat 37.31%
    Soapy 37.28%
    Coconut 34.36%
    Creamy 30.0%
    Bland 28.57%
    Fruity 28.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    7.16 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 154.21 ˚C est.

  • Synonyms

    • OCTAN-2-YL DODECANOATE
    • 55194-07-5
    • DTXSID50648855
    • RefChem:366798
    • DTXCID40599605
    • Dodecanoic acid, 1-methylheptyl ester
    • 1-methylheptyl dodecanoate
    • SCHEMBL15949928
    • 55194-07-5

  • Applications

    Octan-2-yl dodecanoate (CAS 55194-07-5) is a long-chain fatty ester commonly evaluated as a fragrance ingredient and fixative, as a cosmetic emollient and carrier oil, as a solvent and processing aid in coatings and inks, and as a plasticizer for certain polymer systems; it may also appear in household products as a fragrance carrier in cleaners and air fresheners. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1645.79
    methanol 1219.75
    isopropanol 2307.75
    water 0.11
    ethyl acetate 6374.0
    n-propanol 2145.65
    acetone 5699.23
    n-butanol 2414.24
    acetonitrile 2085.65
    DMF 5072.69
    toluene 2357.45
    isobutanol 2240.77
    1,4-dioxane 4752.72
    methyl acetate 3568.29
    THF 9057.72
    2-butanone 5441.53
    n-pentanol 1475.96
    sec-butanol 2558.58
    n-hexane 1263.69
    ethylene glycol 66.52
    NMP 7196.18
    cyclohexane 3773.74
    DMSO 4478.01
    n-butyl acetate 5498.42
    n-octanol 1196.74
    chloroform 9103.58
    n-propyl acetate 5718.97
    acetic acid 1574.6
    dichloromethane 9858.21
    cyclohexanone 12784.23
    propylene glycol 235.73
    isopropyl acetate 5301.88
    DMAc 6060.02
    2-ethoxyethanol 1891.03
    isopentanol 2848.21
    n-heptane 779.24
    ethyl formate 2375.36
    1,2-dichloroethane 8402.96
    n-hexanol 1418.47
    2-methoxyethanol 2451.79
    isobutyl acetate 3419.78
    tetrachloromethane 2449.15
    n-pentyl acetate 5551.8
    transcutol 7526.17
    n-heptanol 1052.39
    ethylbenzene 1412.22
    MIBK 4494.9
    2-propoxyethanol 2227.15
    tert-butanol 3200.47
    MTBE 5925.14
    2-butoxyethanol 2060.37
    propionic acid 1909.86
    o-xylene 1774.41
    formic acid 202.72
    diethyl ether 5340.34
    m-xylene 1580.91
    p-xylene 2240.45
    chlorobenzene 3706.85
    dimethyl carbonate 992.35
    n-octane 293.43
    formamide 518.1
    cyclopentanone 9543.94
    2-pentanone 6198.05
    anisole 2363.47
    cyclopentyl methyl ether 6866.67
    gamma-butyrolactone 8042.77
    1-methoxy-2-propanol 2670.43
    pyridine 5534.1
    3-pentanone 4512.66
    furfural 4623.67
    n-dodecane 141.77
    diethylene glycol 708.83
    diisopropyl ether 2297.14
    tert-amyl alcohol 3274.91
    acetylacetone 5547.96
    n-hexadecane 181.28
    acetophenone 2617.82
    methyl propionate 3793.89
    isopentyl acetate 5311.3
    trichloroethylene 11401.4
    n-nonanol 1093.77
    cyclohexanol 4515.25
    benzyl alcohol 1321.51
    2-ethylhexanol 1616.66
    isooctanol 1153.0
    dipropyl ether 3570.63
    1,2-dichlorobenzene 3691.95
    ethyl lactate 1194.4
    propylene carbonate 4645.3
    n-methylformamide 1808.64
    2-pentanol 2379.03
    n-pentane 838.47
    1-propoxy-2-propanol 2516.45
    1-methoxy-2-propyl acetate 3793.33
    2-(2-methoxypropoxy) propanol 1474.37
    mesitylene 1179.42
    ε-caprolactone 9134.88
    p-cymene 1017.18
    epichlorohydrin 8047.52
    1,1,1-trichloroethane 8793.89
    2-aminoethanol 360.73
    morpholine-4-carbaldehyde 5317.44
    sulfolane 9392.06
    2,2,4-trimethylpentane 494.09
    2-methyltetrahydrofuran 9443.78
    n-hexyl acetate 5267.38
    isooctane 308.8
    2-(2-butoxyethoxy)ethanol 2220.15
    sec-butyl acetate 4324.26
    tert-butyl acetate 5739.45
    decalin 954.86
    glycerin 291.72
    diglyme 5361.73
    acrylic acid 1030.55
    isopropyl myristate 1540.97
    n-butyric acid 4891.0
    acetyl acetate 3146.05
    di(2-ethylhexyl) phthalate 933.41
    ethyl propionate 4751.14
    nitromethane 3910.1
    1,2-diethoxyethane 4886.58
    benzonitrile 2578.54
    trioctyl phosphate 782.71
    1-bromopropane 5820.09
    gamma-valerolactone 10487.54
    n-decanol 678.6
    triethyl phosphate 1451.54
    4-methyl-2-pentanol 1440.87
    propionitrile 2533.11
    vinylene carbonate 3389.87
    1,1,2-trichlorotrifluoroethane 3800.91
    DMS 2467.91
    cumene 967.13
    2-octanol 1136.72
    2-hexanone 4477.45
    octyl acetate 1824.09
    limonene 2256.96
    1,2-dimethoxyethane 5319.68
    ethyl orthosilicate 1517.81
    tributyl phosphate 1151.15
    diacetone alcohol 3725.61
    N,N-dimethylaniline 1652.68
    acrylonitrile 2231.54
    aniline 2131.25
    1,3-propanediol 963.81
    bromobenzene 4496.46
    dibromomethane 7099.28
    1,1,2,2-tetrachloroethane 10298.9
    2-methyl-cyclohexyl acetate 2879.17
    tetrabutyl urea 1649.11
    diisobutyl methanol 1114.1
    2-phenylethanol 1287.73
    styrene 1892.67
    dioctyl adipate 2091.57
    dimethyl sulfate 1764.0
    ethyl butyrate 4693.44
    methyl lactate 1058.54
    butyl lactate 2505.31
    diethyl carbonate 2155.05
    propanediol butyl ether 1494.56
    triethyl orthoformate 2960.0
    p-tert-butyltoluene 925.64
    methyl 4-tert-butylbenzoate 2293.33
    morpholine 6994.76
    tert-butylamine 2363.24
    n-dodecanol 486.09
    dimethoxymethane 2944.7
    ethylene carbonate 3800.33
    cyrene 1335.66
    2-ethoxyethyl acetate 4453.87
    2-ethylhexyl acetate 4431.29
    1,2,4-trichlorobenzene 3892.8
    4-methylpyridine 6031.56
    dibutyl ether 4165.21
    2,6-dimethyl-4-heptanol 1114.1
    DEF 6993.33
    dimethyl isosorbide 3085.62
    tetrachloroethylene 6924.97
    eugenol 1595.84
    triacetin 3412.83
    span 80 1669.94
    1,4-butanediol 359.92
    1,1-dichloroethane 7952.35
    2-methyl-1-pentanol 1727.88
    methyl formate 1135.39
    2-methyl-1-butanol 2526.01
    n-decane 356.92
    butyronitrile 3447.91
    3,7-dimethyl-1-octanol 1402.87
    1-chlorooctane 1734.79
    1-chlorotetradecane 490.92
    n-nonane 376.02
    undecane 205.84
    tert-butylcyclohexane 679.99
    cyclooctane 853.69
    cyclopentanol 3912.57
    tetrahydropyran 10156.21
    tert-amyl methyl ether 4414.66
    2,5,8-trioxanonane 2488.35
    1-hexene 2626.58
    2-isopropoxyethanol 1772.09
    2,2,2-trifluoroethanol 607.1
    methyl butyrate 6597.98

    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