Glyceryl Dierucate

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  • Identifiers

    CAS number
    28880-79-7

    Molecular formula
    C47H88O5

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 68.77%
    Waxy 68.17%
    Oily 52.29%
    Odorless 31.79%
    Sweet 23.42%
    Creamy 20.88%
    Fishy 17.04%
    Buttery 17.02%
    Dairy 16.94%
    Balsamic 15.76%

     

    Flavor
    Waxy 43.15%
    Fatty 37.67%
    Mild 35.37%
    Faint 35.12%
    Bland 33.34%
    Oily 29.88%
    Slightly waxy 23.38%
    Odorless 22.91%
    Fat 21.78%
    Bay oil 21.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.7

    pKa est.
    10.26 (weak base)

    Molecular weight
    733.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    869°C

    Flash point

    • 289.79 ˚C est.

  • Synonyms

    • GLYCERYL DIERUCATE
    • 28880-79-7
    • EINECS 249-285-5
    • DTXSID201021372
    • Bis((Z)-docos-13-enoic) acid, diester with glycerol
    • 2O649Y7J74
    • Bis[(Z)-docos-13-enoic] acid, diester with glycerol
    • dierucin
    • glycerol dierucate
    • RefChem:663519
    • GLYCERYL DIERUCATE [INCI]
    • DTXCID301506416
    • 13-DOCOSENOIN, DI-, (Z,Z)-
    • 13-DOCOSENOIC ACID, DIESTER WITH 1,2,3-PROPANETRIOL, (13Z,13'Z)-
    • 13-DOCOSENOIC ACID, 1,1'-DIESTER WITH 1,2,3-PROPANETRIOL, (13Z)-
    • 249-285-5
    • 1,2-Glycerol dierucate
    • [2-[(Z)-docos-13-enoyl]oxy-3-hydroxypropyl] (Z)-docos-13-enoate
    • UNII-2O649Y7J74
    • 1,2-Dierucin
    • 1,2-dierucoylglycerol
    • 0G2WFW0NU6
    • SCHEMBL711508
    • DG 22:1_22:1
    • Q27236732
    • 13-Docosenoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (13Z,13'Z)-
    • 28880-79-7

  • Applications

    Glyceryl Dierucate (CAS 28880-79-7) is used primarily as an emollient and slip agent in cosmetics and personal care; it also serves as a solvent or carrier for fragrance oils in perfumery; it can function as a lipid-based excipient or vehicle in topical pharmaceutical formulations; it may act as a plasticizer or processing aid in certain polymer systems; and it may be evaluated as a lipid-based additive for coatings or inks in industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.34
    methanol 5.05
    isopropanol 4.71
    water 0.09
    ethyl acetate 72.71
    n-propanol 8.1
    acetone 41.99
    n-butanol 8.85
    acetonitrile 13.74
    DMF 81.64
    toluene 38.01
    isobutanol 7.81
    1,4-dioxane 62.55
    methyl acetate 51.01
    THF 171.92
    2-butanone 63.18
    n-pentanol 10.55
    sec-butanol 11.57
    n-hexane 8.7
    ethylene glycol 0.85
    NMP 376.9
    cyclohexane 25.85
    DMSO 101.42
    n-butyl acetate 58.29
    n-octanol 20.01
    chloroform 223.43
    n-propyl acetate 69.28
    acetic acid 32.26
    dichloromethane 228.76
    cyclohexanone 196.33
    propylene glycol 2.44
    isopropyl acetate 64.81
    DMAc 278.01
    2-ethoxyethanol 27.33
    isopentanol 10.8
    n-heptane 8.04
    ethyl formate 30.94
    1,2-dichloroethane 127.89
    n-hexanol 9.59
    2-methoxyethanol 22.11
    isobutyl acetate 43.33
    tetrachloromethane 58.96
    n-pentyl acetate 117.27
    transcutol 161.57
    n-heptanol 15.71
    ethylbenzene 30.03
    MIBK 48.79
    2-propoxyethanol 29.51
    tert-butanol 10.39
    MTBE 37.16
    2-butoxyethanol 48.75
    propionic acid 26.56
    o-xylene 42.17
    formic acid 7.39
    diethyl ether 28.32
    m-xylene 30.13
    p-xylene 40.47
    chlorobenzene 69.92
    dimethyl carbonate 43.96
    n-octane 5.16
    formamide 14.08
    cyclopentanone 218.96
    2-pentanone 62.88
    anisole 53.44
    cyclopentyl methyl ether 111.23
    gamma-butyrolactone 234.35
    1-methoxy-2-propanol 28.06
    pyridine 89.41
    3-pentanone 75.79
    furfural 150.26
    n-dodecane 2.96
    diethylene glycol 10.22
    diisopropyl ether 18.92
    tert-amyl alcohol 22.26
    acetylacetone 111.05
    n-hexadecane 3.59
    acetophenone 86.77
    methyl propionate 70.82
    isopentyl acetate 60.67
    trichloroethylene 283.71
    n-nonanol 22.92
    cyclohexanol 30.18
    benzyl alcohol 24.28
    2-ethylhexanol 15.62
    isooctanol 18.87
    dipropyl ether 41.04
    1,2-dichlorobenzene 102.05
    ethyl lactate 35.45
    propylene carbonate 141.13
    n-methylformamide 27.38
    2-pentanol 10.55
    n-pentane 4.95
    1-propoxy-2-propanol 37.4
    1-methoxy-2-propyl acetate 78.92
    2-(2-methoxypropoxy) propanol 60.52
    mesitylene 23.27
    ε-caprolactone 206.89
    p-cymene 23.56
    epichlorohydrin 199.19
    1,1,1-trichloroethane 188.34
    2-aminoethanol 3.07
    morpholine-4-carbaldehyde 162.24
    sulfolane 449.37
    2,2,4-trimethylpentane 8.66
    2-methyltetrahydrofuran 136.13
    n-hexyl acetate 106.65
    isooctane 3.26
    2-(2-butoxyethoxy)ethanol 64.15
    sec-butyl acetate 62.58
    tert-butyl acetate 91.95
    decalin 16.22
    glycerin 5.37
    diglyme 160.38
    acrylic acid 22.98
    isopropyl myristate 34.26
    n-butyric acid 50.87
    acetyl acetate 73.96
    di(2-ethylhexyl) phthalate 34.16
    ethyl propionate 78.18
    nitromethane 88.88
    1,2-diethoxyethane 80.44
    benzonitrile 35.71
    trioctyl phosphate 24.03
    1-bromopropane 64.41
    gamma-valerolactone 264.19
    n-decanol 13.89
    triethyl phosphate 61.34
    4-methyl-2-pentanol 9.31
    propionitrile 17.31
    vinylene carbonate 110.13
    1,1,2-trichlorotrifluoroethane 150.07
    DMS 79.54
    cumene 22.84
    2-octanol 17.24
    2-hexanone 62.67
    octyl acetate 44.51
    limonene 40.95
    1,2-dimethoxyethane 75.7
    ethyl orthosilicate 57.12
    tributyl phosphate 33.95
    diacetone alcohol 64.24
    N,N-dimethylaniline 52.3
    acrylonitrile 20.96
    aniline 28.92
    1,3-propanediol 5.98
    bromobenzene 90.27
    dibromomethane 127.97
    1,1,2,2-tetrachloroethane 289.59
    2-methyl-cyclohexyl acetate 74.71
    tetrabutyl urea 54.85
    diisobutyl methanol 13.37
    2-phenylethanol 21.73
    styrene 31.79
    dioctyl adipate 64.76
    dimethyl sulfate 129.63
    ethyl butyrate 78.29
    methyl lactate 33.66
    butyl lactate 74.22
    diethyl carbonate 50.31
    propanediol butyl ether 34.1
    triethyl orthoformate 76.43
    p-tert-butyltoluene 22.71
    methyl 4-tert-butylbenzoate 112.7
    morpholine 73.93
    tert-butylamine 8.18
    n-dodecanol 9.43
    dimethoxymethane 53.78
    ethylene carbonate 95.61
    cyrene 81.03
    2-ethoxyethyl acetate 133.95
    2-ethylhexyl acetate 59.7
    1,2,4-trichlorobenzene 140.63
    4-methylpyridine 82.54
    dibutyl ether 51.39
    2,6-dimethyl-4-heptanol 13.37
    DEF 108.92
    dimethyl isosorbide 154.75
    tetrachloroethylene 163.44
    eugenol 69.46
    triacetin 150.2
    span 80 54.99
    1,4-butanediol 3.93
    1,1-dichloroethane 103.99
    2-methyl-1-pentanol 15.88
    methyl formate 24.86
    2-methyl-1-butanol 13.47
    n-decane 7.11
    butyronitrile 17.53
    3,7-dimethyl-1-octanol 21.64
    1-chlorooctane 31.0
    1-chlorotetradecane 9.52
    n-nonane 6.6
    undecane 4.25
    tert-butylcyclohexane 10.53
    cyclooctane 11.56
    cyclopentanol 31.18
    tetrahydropyran 92.55
    tert-amyl methyl ether 54.12
    2,5,8-trioxanonane 94.01
    1-hexene 18.12
    2-isopropoxyethanol 25.91
    2,2,2-trifluoroethanol 26.03
    methyl butyrate 96.71

    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