Dodecanoic acid;tris(propane-1,2,3-triol)

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  • Identifiers

    CAS number
    51033-31-9

    Molecular formula
    C21H48O11

    SMILES
    CCCCCCCCCCCC(=O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 86.5%
    Waxy 79.83%
    Dairy 49.63%
    Oily 47.07%
    Creamy 44.06%
    Cheesy 43.72%
    Milky 40.0%
    Citrus 37.19%
    Soapy 36.19%
    Coconut 35.55%

     

    Flavor
    Fatty 73.92%
    Waxy 64.71%
    Fat 46.57%
    Coconut 46.21%
    Oily 38.97%
    Creamy 37.52%
    Cheese 37.47%
    Soapy 36.49%
    Mild 34.34%
    Rancid 27.56%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.43 (neutral)

    Molecular weight
    476.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 147.34 ˚C est.

  • Synonyms

    • 51033-31-9
    • 70644-94-9
    • SCHEMBL3228442
    • DTXSID70703112
    • FT41089
    • DB-210676
    • Dodecanoic acid--propane-1,2,3-triol (1/3)
    • 51033-31-9

  • Applications

    Glyceryl dodecanoate (Dodecanoic acid;tris(propane-1,2,3-triol); CAS 51033-31-9) is a triester of glycerol and lauric acid. It is primarily used as an emollient and skin-conditioning agent in cosmetics and personal care products. It also acts as a lipophilic solvent and carrier in coatings, inks, and other industrial formulations, and serves as a processing lubricant or plasticizer in polymer and plastic processing. As a fatty acid ester, it can be used as an intermediate for the synthesis of other fatty esters in chemical manufacturing. In pharmaceutical formulations it may function as a lipid-based excipient or carrier, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1539.69
    methanol 1392.46
    isopropanol 1702.27
    water 0.02
    ethyl acetate 879.76
    n-propanol 1238.17
    acetone 1739.2
    n-butanol 1134.04
    acetonitrile 395.82
    DMF 1584.49
    toluene 265.94
    isobutanol 1061.5
    1,4-dioxane 1027.2
    methyl acetate 483.08
    THF 3168.31
    2-butanone 1222.93
    n-pentanol 1005.84
    sec-butanol 1192.16
    n-hexane 779.74
    ethylene glycol 77.11
    NMP 1102.45
    cyclohexane 377.91
    DMSO 2372.18
    n-butyl acetate 1172.38
    n-octanol 373.26
    chloroform 932.9
    n-propyl acetate 992.35
    acetic acid 421.04
    dichloromethane 951.43
    cyclohexanone 1788.73
    propylene glycol 282.48
    isopropyl acetate 836.72
    DMAc 888.25
    2-ethoxyethanol 949.34
    isopentanol 1212.87
    n-heptane 209.86
    ethyl formate 390.9
    1,2-dichloroethane 982.13
    n-hexanol 977.72
    2-methoxyethanol 1301.53
    isobutyl acetate 669.45
    tetrachloromethane 210.44
    n-pentyl acetate 744.13
    transcutol 2543.27
    n-heptanol 429.06
    ethylbenzene 219.72
    MIBK 927.25
    2-propoxyethanol 1201.2
    tert-butanol 2028.86
    MTBE 1641.77
    2-butoxyethanol 733.96
    propionic acid 511.78
    o-xylene 204.12
    formic acid 79.68
    diethyl ether 1475.81
    m-xylene 253.18
    p-xylene 283.15
    chlorobenzene 343.86
    dimethyl carbonate 124.27
    n-octane 67.21
    formamide 147.59
    cyclopentanone 1864.14
    2-pentanone 1462.12
    anisole 410.49
    cyclopentyl methyl ether 1577.81
    gamma-butyrolactone 1379.42
    1-methoxy-2-propanol 1407.81
    pyridine 753.68
    3-pentanone 705.67
    furfural 790.52
    n-dodecane 32.16
    diethylene glycol 511.8
    diisopropyl ether 506.52
    tert-amyl alcohol 1380.36
    acetylacetone 952.8
    n-hexadecane 38.36
    acetophenone 400.23
    methyl propionate 568.26
    isopentyl acetate 1057.63
    trichloroethylene 1147.99
    n-nonanol 327.29
    cyclohexanol 1106.83
    benzyl alcohol 346.21
    2-ethylhexanol 628.58
    isooctanol 405.99
    dipropyl ether 1073.35
    1,2-dichlorobenzene 346.8
    ethyl lactate 297.21
    propylene carbonate 676.22
    n-methylformamide 551.63
    2-pentanol 1050.79
    n-pentane 277.92
    1-propoxy-2-propanol 1122.67
    1-methoxy-2-propyl acetate 830.87
    2-(2-methoxypropoxy) propanol 489.45
    mesitylene 195.31
    ε-caprolactone 1191.17
    p-cymene 157.96
    epichlorohydrin 1489.1
    1,1,1-trichloroethane 775.17
    2-aminoethanol 393.5
    morpholine-4-carbaldehyde 953.06
    sulfolane 1911.23
    2,2,4-trimethylpentane 99.95
    2-methyltetrahydrofuran 2138.28
    n-hexyl acetate 824.88
    isooctane 94.8
    2-(2-butoxyethoxy)ethanol 814.34
    sec-butyl acetate 728.06
    tert-butyl acetate 1045.56
    decalin 157.37
    glycerin 278.99
    diglyme 1318.92
    acrylic acid 256.71
    isopropyl myristate 287.41
    n-butyric acid 1197.0
    acetyl acetate 331.56
    di(2-ethylhexyl) phthalate 206.91
    ethyl propionate 704.3
    nitromethane 616.34
    1,2-diethoxyethane 1129.06
    benzonitrile 377.53
    trioctyl phosphate 187.1
    1-bromopropane 933.82
    gamma-valerolactone 1759.95
    n-decanol 226.09
    triethyl phosphate 247.09
    4-methyl-2-pentanol 599.48
    propionitrile 530.9
    vinylene carbonate 418.96
    1,1,2-trichlorotrifluoroethane 809.68
    DMS 315.62
    cumene 178.43
    2-octanol 335.39
    2-hexanone 1188.13
    octyl acetate 330.95
    limonene 326.42
    1,2-dimethoxyethane 1571.57
    ethyl orthosilicate 272.39
    tributyl phosphate 246.42
    diacetone alcohol 1045.58
    N,N-dimethylaniline 307.87
    acrylonitrile 425.47
    aniline 375.22
    1,3-propanediol 665.42
    bromobenzene 374.08
    dibromomethane 810.37
    1,1,2,2-tetrachloroethane 1213.32
    2-methyl-cyclohexyl acetate 530.72
    tetrabutyl urea 319.31
    diisobutyl methanol 365.8
    2-phenylethanol 401.25
    styrene 263.09
    dioctyl adipate 381.11
    dimethyl sulfate 267.39
    ethyl butyrate 728.27
    methyl lactate 264.66
    butyl lactate 487.75
    diethyl carbonate 338.32
    propanediol butyl ether 602.53
    triethyl orthoformate 474.72
    p-tert-butyltoluene 167.76
    methyl 4-tert-butylbenzoate 395.31
    morpholine 1902.73
    tert-butylamine 1336.12
    n-dodecanol 163.04
    dimethoxymethane 917.58
    ethylene carbonate 419.13
    cyrene 397.87
    2-ethoxyethyl acetate 644.02
    2-ethylhexyl acetate 817.28
    1,2,4-trichlorobenzene 382.58
    4-methylpyridine 774.55
    dibutyl ether 790.83
    2,6-dimethyl-4-heptanol 365.8
    DEF 1194.22
    dimethyl isosorbide 826.25
    tetrachloroethylene 758.62
    eugenol 367.37
    triacetin 508.28
    span 80 519.56
    1,4-butanediol 282.59
    1,1-dichloroethane 966.03
    2-methyl-1-pentanol 812.85
    methyl formate 235.98
    2-methyl-1-butanol 960.85
    n-decane 76.15
    butyronitrile 847.74
    3,7-dimethyl-1-octanol 440.06
    1-chlorooctane 318.21
    1-chlorotetradecane 95.88
    n-nonane 85.19
    undecane 46.57
    tert-butylcyclohexane 156.84
    cyclooctane 111.13
    cyclopentanol 1241.54
    tetrahydropyran 2204.45
    tert-amyl methyl ether 1003.18
    2,5,8-trioxanonane 798.93
    1-hexene 1466.58
    2-isopropoxyethanol 830.39
    2,2,2-trifluoroethanol 97.12
    methyl butyrate 1017.61

    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