Diethyl Sebacate

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  • Identifiers

    CAS number
    110-40-7

    Molecular formula
    C14H26O4

    SMILES
    CCOC(=O)CCCCCCCCC(=O)OCC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fruity 79.13%
    Winey 55.6%
    Fatty 54.18%
    Oily 50.18%
    Waxy 33.39%
    Sweet 32.22%
    Buttery 29.35%
    Fermented 26.53%
    Creamy 26.33%
    Ethereal 26.19%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.98 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 5 °C

    Boiling point

    • 302.00 to 305.00 °C. @ 760.00 mm Hg

    Flash point est.
    141.78 ˚C

    Solubility expt.

    • 0.08 mg/mL at 20 °C
    • miscible in alcohol, ether, other organic solvents, most fixed oils; insoluble in water

  • Synonyms

    • DIETHYL SEBACATE
    • Diethyl decanedioate
    • 110-40-7
    • Decanedioic acid, diethyl ester
    • Ethyl sebacate
    • Bisoflex DES
    • Sebacic acid, diethyl ester
    • Diethyl 1,10-decanedioate
    • Ethyl sebacate (VAN)
    • Sebacic acid diethyl ester
    • 1,10-diethyl decanedioate
    • FEMA No. 2376
    • Diethyl 1,8-octanedicarboxylate
    • UNII-I41B9FJK6V
    • NSC 8911
    • EINECS 203-764-5
    • Decanedioic acid, 1,10-diethyl ester
    • BRN 1790779
    • DTXSID0021915
    • AI3-01970
    • Diethyl sebacate (NF)
    • NSC-8911
    • DECANEDIOIC ACID,DIETHYL ESTER
    • MFCD00009219
    • I41B9FJK6V
    • DIETHYL SEBACATE [II]
    • DIETHYL SEBACATE [FCC]
    • DTXCID201915
    • DIETHYL SEBACATE [FHFI]
    • ETHYL SEBACATE [WHO-DD]
    • DIETHYL SEBACATE [USP-RS]
    • 4-02-00-02080 (Beilstein Handbook Reference)
    • DIETHYL SEBACATE (II)
    • DIETHYL SEBACATE (USP-RS)
    • Decanedioic Acid Diethyl Ester
    • Diethyl sebecate
    • Sebacinsaurediathylester
    • Diethyl sebacate, 98%
    • Diethyl 1,10decanedioate
    • SCHEMBL33870
    • WLN: 2OV8VO2
    • Diethyl 1,8octanedicarboxylate
    • DIETHYL SEBACATE [INCI]
    • CHEMBL1884461
    • FEMA 2376
    • NSC8911
    • CHEBI:172099
    • Tox21_301167
    • Decanedioic acid, 1,10diethyl ester
    • Diethyl sebacate, analytical standard
    • STL280489
    • AKOS015915696
    • Decanedioic acid 1,10-diethyl ester, NSC 8911, Sebacic acid diethyl ester
    • CS-W010159
    • Diethyl sebacate, >=98%, FCC, FG
    • HY-W009443
    • SEBACIC ACID DIETHYL ESTER [MI]
    • NCGC00164103-01
    • NCGC00164103-02
    • NCGC00255065-01
    • CAS-110-40-7
    • DECANEDIOIC ACID 1,10-DIETHYL ESTER
    • NS00012225
    • S0024
    • EN300-83817
    • D10682
    • E82985
    • Q27280379
    • Diethyl sebacate, United States Pharmacopeia (USP) Reference Standard
    • 203-764-5

  • Applications

    Diethyl sebacate (DES, CAS 110-40-7) is an ester of sebacic acid that finds wide use across industrial, cosmetic and pharmaceutical sectors; thanks to its high boiling point, faint odour and good biocompatibility it is employed as a plasticizer for cellulose acetate, polyvinyl chloride and various bio-based polymers to impart flexibility, cold-resistance and UV stability; in perfumery and flavouring DES serves as an excellent solvent for synthetic musks, essential oils and flavour concentrates, delivering stable notes and reduced volatility; in drug formulation it acts as an excipient that controls the release of active ingredients from microspheres or depots and as a solvent vehicle for long-acting injectables; coating technologists use it as a flow-promoting, gloss-enhancing additive in nitrocellulose lacquers; in aerospace and engine lubricants it functions as a carrier for anti-wear additives at low temperatures; the molecule is also an intermediate for producing polyamides, insect repellents and other environmentally benign sebacate derivatives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.96
    methanol 147.73
    isopropanol 86.42
    water 0.09
    ethyl acetate 306.3
    n-propanol 86.19
    acetone 430.91
    n-butanol 83.2
    acetonitrile 268.57
    DMF 667.33
    toluene 220.34
    isobutanol 76.43
    1,4-dioxane 395.38
    methyl acetate 276.04
    THF 809.08
    2-butanone 338.62
    n-pentanol 85.74
    sec-butanol 94.46
    n-hexane 27.64
    ethylene glycol 12.79
    NMP 1072.22
    cyclohexane 72.95
    DMSO 938.56
    n-butyl acetate 249.57
    n-octanol 52.69
    chloroform 1397.92
    n-propyl acetate 275.21
    acetic acid 306.7
    dichloromethane 1611.27
    cyclohexanone 860.61
    propylene glycol 26.51
    isopropyl acetate 228.56
    DMAc 858.8
    2-ethoxyethanol 181.25
    isopentanol 96.96
    n-heptane 12.17
    ethyl formate 182.85
    1,2-dichloroethane 936.05
    n-hexanol 68.44
    2-methoxyethanol 227.87
    isobutyl acetate 168.86
    tetrachloromethane 163.41
    n-pentyl acetate 203.82
    transcutol 648.57
    n-heptanol 42.0
    ethylbenzene 131.65
    MIBK 202.01
    2-propoxyethanol 173.26
    tert-butanol 152.06
    MTBE 204.97
    2-butoxyethanol 118.55
    propionic acid 184.84
    o-xylene 161.49
    formic acid 75.57
    diethyl ether 191.44
    m-xylene 140.58
    p-xylene 186.35
    chlorobenzene 433.4
    dimethyl carbonate 105.69
    n-octane 7.12
    formamide 143.55
    cyclopentanone 935.0
    2-pentanone 295.14
    anisole 249.03
    cyclopentyl methyl ether 385.94
    gamma-butyrolactone 1048.06
    1-methoxy-2-propanol 183.7
    pyridine 598.69
    3-pentanone 267.22
    furfural 784.81
    n-dodecane 6.01
    diethylene glycol 108.75
    diisopropyl ether 66.65
    tert-amyl alcohol 158.06
    acetylacetone 472.16
    n-hexadecane 7.29
    acetophenone 312.96
    methyl propionate 247.78
    isopentyl acetate 227.18
    trichloroethylene 1640.31
    n-nonanol 52.22
    cyclohexanol 182.11
    benzyl alcohol 182.55
    2-ethylhexanol 64.76
    isooctanol 43.4
    dipropyl ether 107.57
    1,2-dichlorobenzene 438.73
    ethyl lactate 104.4
    propylene carbonate 494.77
    n-methylformamide 231.72
    2-pentanol 66.09
    n-pentane 15.77
    1-propoxy-2-propanol 141.13
    1-methoxy-2-propyl acetate 237.36
    2-(2-methoxypropoxy) propanol 164.01
    mesitylene 89.95
    ε-caprolactone 663.77
    p-cymene 64.41
    epichlorohydrin 991.62
    1,1,1-trichloroethane 748.66
    2-aminoethanol 41.29
    morpholine-4-carbaldehyde 658.93
    sulfolane 1430.35
    2,2,4-trimethylpentane 16.34
    2-methyltetrahydrofuran 562.1
    n-hexyl acetate 241.84
    isooctane 8.43
    2-(2-butoxyethoxy)ethanol 201.88
    sec-butyl acetate 180.27
    tert-butyl acetate 267.62
    decalin 40.09
    glycerin 55.13
    diglyme 449.94
    acrylic acid 176.23
    isopropyl myristate 85.79
    n-butyric acid 266.88
    acetyl acetate 266.43
    di(2-ethylhexyl) phthalate 96.77
    ethyl propionate 238.94
    nitromethane 713.62
    1,2-diethoxyethane 246.52
    benzonitrile 305.4
    trioctyl phosphate 59.61
    1-bromopropane 396.05
    gamma-valerolactone 1027.0
    n-decanol 35.85
    triethyl phosphate 128.47
    4-methyl-2-pentanol 49.51
    propionitrile 188.83
    vinylene carbonate 439.37
    1,1,2-trichlorotrifluoroethane 585.97
    DMS 221.81
    cumene 80.63
    2-octanol 38.75
    2-hexanone 244.57
    octyl acetate 108.63
    limonene 104.74
    1,2-dimethoxyethane 464.84
    ethyl orthosilicate 115.63
    tributyl phosphate 97.45
    diacetone alcohol 226.32
    N,N-dimethylaniline 174.63
    acrylonitrile 270.66
    aniline 208.55
    1,3-propanediol 74.28
    bromobenzene 522.64
    dibromomethane 960.99
    1,1,2,2-tetrachloroethane 1296.23
    2-methyl-cyclohexyl acetate 201.35
    tetrabutyl urea 132.42
    diisobutyl methanol 43.57
    2-phenylethanol 129.92
    styrene 190.78
    dioctyl adipate 170.63
    dimethyl sulfate 269.27
    ethyl butyrate 210.21
    methyl lactate 106.01
    butyl lactate 140.06
    diethyl carbonate 152.58
    propanediol butyl ether 111.69
    triethyl orthoformate 148.28
    p-tert-butyltoluene 60.28
    methyl 4-tert-butylbenzoate 214.46
    morpholine 497.72
    tert-butylamine 95.23
    n-dodecanol 27.23
    dimethoxymethane 272.4
    ethylene carbonate 348.13
    cyrene 234.64
    2-ethoxyethyl acetate 266.59
    2-ethylhexyl acetate 191.13
    1,2,4-trichlorobenzene 509.67
    4-methylpyridine 593.85
    dibutyl ether 124.82
    2,6-dimethyl-4-heptanol 43.57
    DEF 424.88
    dimethyl isosorbide 369.82
    tetrachloroethylene 784.63
    eugenol 181.91
    triacetin 301.41
    span 80 158.63
    1,4-butanediol 38.3
    1,1-dichloroethane 699.14
    2-methyl-1-pentanol 102.79
    methyl formate 174.28
    2-methyl-1-butanol 91.82
    n-decane 10.85
    butyronitrile 204.02
    3,7-dimethyl-1-octanol 60.76
    1-chlorooctane 62.11
    1-chlorotetradecane 23.84
    n-nonane 10.11
    undecane 7.56
    tert-butylcyclohexane 26.8
    cyclooctane 19.03
    cyclopentanol 210.78
    tetrahydropyran 464.78
    tert-amyl methyl ether 183.88
    2,5,8-trioxanonane 309.2
    1-hexene 95.51
    2-isopropoxyethanol 143.15
    2,2,2-trifluoroethanol 125.3
    methyl butyrate 341.51

    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