Heptyl dodecanoate

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  • Identifiers

    CAS number
    42231-73-2

    Molecular formula
    C19H38O2

    SMILES
    CCCCCCCCCCCC(=O)OCCCCCCC

  • Odor profile

    Fragrance
    Oily 73.31%
    Fatty 68.55%
    Waxy 62.52%
    Fruity 62.05%
    Floral 47.95%
    Winey 45.51%
    Cognac 43.46%
    Sweet 40.13%
    Rose 37.31%
    Creamy 34.63%

     

    Flavor
    Waxy 71.5%
    Oily 53.34%
    Fatty 53.21%
    Soapy 47.51%
    Sweet 42.87%
    Coconut 42.32%
    Mild 41.97%
    Fruity 41.32%
    Fat 37.87%
    Creamy 37.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.2

    pKa est.
    7.05 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 154.41 ˚C est.

  • Synonyms

    • heptyl dodecanoate
    • Dodecanoic acid, heptyl ester
    • 42231-73-2
    • SCHEMBL333305
    • DTXSID00542556

  • Applications

    Heptyl dodecanoate (CAS 42231-73-2) is a long-chain ester commonly used in fragrance, cosmetics, coatings, and polymer formulations. In perfumery, it serves as a fragrance ingredient and a fixative, helping to anchor and extend aroma in fragrance concentrates. In cosmetics and personal care, it functions as an emollient and solvent carrier for fragrance and active ingredients, improving skin feel and formulation compatibility. In coatings and inks, it acts as a plasticizer and processing aid, aiding film formation and leveling. In polymers/plastics, it is used as a plasticizer or additive to adjust flexibility and processability of resin systems. In industrial manufacturing, it can serve as a solvent or processing aid in specialty formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 854.36
    methanol 711.43
    isopropanol 1245.2
    water 0.06
    ethyl acetate 4261.87
    n-propanol 1143.7
    acetone 3308.99
    n-butanol 1336.71
    acetonitrile 1274.06
    DMF 3272.81
    toluene 1417.61
    isobutanol 1218.28
    1,4-dioxane 2852.13
    methyl acetate 2290.87
    THF 5775.55
    2-butanone 3455.0
    n-pentanol 878.71
    sec-butanol 1413.87
    n-hexane 644.85
    ethylene glycol 38.54
    NMP 4805.13
    cyclohexane 2195.82
    DMSO 3471.96
    n-butyl acetate 3901.26
    n-octanol 759.39
    chloroform 6101.29
    n-propyl acetate 4154.9
    acetic acid 961.98
    dichloromethane 6818.55
    cyclohexanone 8404.6
    propylene glycol 137.55
    isopropyl acetate 3509.81
    DMAc 3942.42
    2-ethoxyethanol 1316.86
    isopentanol 1649.89
    n-heptane 479.61
    ethyl formate 1522.82
    1,2-dichloroethane 5784.18
    n-hexanol 854.26
    2-methoxyethanol 1587.51
    isobutyl acetate 2366.18
    tetrachloromethane 1588.42
    n-pentyl acetate 3912.33
    transcutol 5803.9
    n-heptanol 665.01
    ethylbenzene 916.05
    MIBK 2990.92
    2-propoxyethanol 1456.67
    tert-butanol 1903.53
    MTBE 3397.02
    2-butoxyethanol 1454.89
    propionic acid 1180.57
    o-xylene 1135.89
    formic acid 130.36
    diethyl ether 3196.53
    m-xylene 1004.97
    p-xylene 1461.45
    chlorobenzene 2383.03
    dimethyl carbonate 637.26
    n-octane 183.56
    formamide 358.44
    cyclopentanone 6583.94
    2-pentanone 4073.73
    anisole 1629.93
    cyclopentyl methyl ether 4333.84
    gamma-butyrolactone 5513.8
    1-methoxy-2-propanol 1740.37
    pyridine 3743.99
    3-pentanone 2952.48
    furfural 3428.59
    n-dodecane 85.36
    diethylene glycol 470.91
    diisopropyl ether 1393.21
    tert-amyl alcohol 1910.86
    acetylacetone 3782.72
    n-hexadecane 110.32
    acetophenone 1901.98
    methyl propionate 2546.4
    isopentyl acetate 3636.27
    trichloroethylene 8360.46
    n-nonanol 702.2
    cyclohexanol 2732.13
    benzyl alcohol 880.12
    2-ethylhexanol 1032.31
    isooctanol 752.76
    dipropyl ether 2471.98
    1,2-dichlorobenzene 2550.36
    ethyl lactate 877.17
    propylene carbonate 3082.17
    n-methylformamide 1204.22
    2-pentanol 1354.93
    n-pentane 408.74
    1-propoxy-2-propanol 1745.19
    1-methoxy-2-propyl acetate 2686.3
    2-(2-methoxypropoxy) propanol 1074.33
    mesitylene 774.08
    ε-caprolactone 6060.81
    p-cymene 694.37
    epichlorohydrin 5553.8
    1,1,1-trichloroethane 5815.4
    2-aminoethanol 217.25
    morpholine-4-carbaldehyde 3567.38
    sulfolane 6836.9
    2,2,4-trimethylpentane 270.44
    2-methyltetrahydrofuran 5761.18
    n-hexyl acetate 3536.69
    isooctane 174.71
    2-(2-butoxyethoxy)ethanol 1637.87
    sec-butyl acetate 3024.89
    tert-butyl acetate 3903.43
    decalin 576.24
    glycerin 185.97
    diglyme 4056.27
    acrylic acid 649.41
    isopropyl myristate 1036.11
    n-butyric acid 3096.46
    acetyl acetate 2086.9
    di(2-ethylhexyl) phthalate 626.38
    ethyl propionate 3450.52
    nitromethane 2577.15
    1,2-diethoxyethane 3515.5
    benzonitrile 1760.64
    trioctyl phosphate 523.02
    1-bromopropane 3709.37
    gamma-valerolactone 7174.0
    n-decanol 434.94
    triethyl phosphate 1059.76
    4-methyl-2-pentanol 875.89
    propionitrile 1604.18
    vinylene carbonate 2311.11
    1,1,2-trichlorotrifluoroethane 2845.92
    DMS 1656.01
    cumene 632.23
    2-octanol 725.42
    2-hexanone 3075.77
    octyl acetate 1204.01
    limonene 1489.7
    1,2-dimethoxyethane 3711.93
    ethyl orthosilicate 1088.67
    tributyl phosphate 789.53
    diacetone alcohol 2593.24
    N,N-dimethylaniline 1141.92
    acrylonitrile 1491.67
    aniline 1316.85
    1,3-propanediol 574.29
    bromobenzene 2978.87
    dibromomethane 4795.73
    1,1,2,2-tetrachloroethane 7592.26
    2-methyl-cyclohexyl acetate 2007.53
    tetrabutyl urea 1122.09
    diisobutyl methanol 741.41
    2-phenylethanol 868.27
    styrene 1239.62
    dioctyl adipate 1434.1
    dimethyl sulfate 1221.56
    ethyl butyrate 3406.83
    methyl lactate 700.29
    butyl lactate 1813.06
    diethyl carbonate 1576.8
    propanediol butyl ether 1025.55
    triethyl orthoformate 2126.6
    p-tert-butyltoluene 625.44
    methyl 4-tert-butylbenzoate 1651.61
    morpholine 4409.76
    tert-butylamine 1369.01
    n-dodecanol 310.93
    dimethoxymethane 1932.11
    ethylene carbonate 2442.93
    cyrene 966.54
    2-ethoxyethyl acetate 3246.9
    2-ethylhexyl acetate 3043.49
    1,2,4-trichlorobenzene 2716.39
    4-methylpyridine 3898.72
    dibutyl ether 2835.07
    2,6-dimethyl-4-heptanol 741.41
    DEF 4809.48
    dimethyl isosorbide 2300.8
    tetrachloroethylene 4948.64
    eugenol 1156.08
    triacetin 2449.77
    span 80 1169.49
    1,4-butanediol 214.27
    1,1-dichloroethane 5171.45
    2-methyl-1-pentanol 1038.68
    methyl formate 740.9
    2-methyl-1-butanol 1435.42
    n-decane 218.38
    butyronitrile 2172.34
    3,7-dimethyl-1-octanol 893.33
    1-chlorooctane 1135.43
    1-chlorotetradecane 306.23
    n-nonane 235.0
    undecane 124.73
    tert-butylcyclohexane 401.58
    cyclooctane 485.41
    cyclopentanol 2271.75
    tetrahydropyran 6070.24
    tert-amyl methyl ether 2614.24
    2,5,8-trioxanonane 1907.64
    1-hexene 1473.48
    2-isopropoxyethanol 1230.5
    2,2,2-trifluoroethanol 385.0
    methyl butyrate 4796.44

    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