Decanedioic acid, 1,10-ditridecyl ester

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  • Identifiers

    CAS number
    2741-62-0

    Molecular formula
    C36H70O4

    SMILES
    CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 64.94%
    Fatty 64.07%
    Oily 59.4%
    Odorless 35.38%
    Fruity 29.78%
    Sweet 29.36%
    Creamy 27.36%
    Buttery 21.23%
    Dairy 20.87%
    Alcoholic 20.45%

     

    Flavor
    Waxy 66.6%
    Fatty 51.52%
    Oily 51.19%
    Mild 45.2%
    Soapy 38.18%
    Coconut 33.99%
    Creamy 33.72%
    Fat 32.93%
    Sweet 30.56%
    Fruity 30.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.0

    pKa est.
    8.87 (weak base)

    Molecular weight
    566.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    548°C

    Flash point

    • 253.47 ˚C est.

  • Synonyms

    • Ditridecyl sebacate
    • 2741-62-0
    • Decanedioic acid, 1,10-ditridecyl ester
    • EINECS 220-373-5
    • DTXSID7062619
    • RefChem:131184
    • DTXCID8037673
    • 220-373-5
    • Decanedioic acid, ditridecyl ester
    • ditridecyl decanedioate
    • D8UGE2D6E8
    • SCHEMBL249206
    • DNWILILLQPIREP-UHFFFAOYSA-N
    • NS00021978
    • 2741-62-0

  • Applications

    Decanedioic acid, 1,10-ditridecyl ester (CAS 2741-62-0) is primarily used as a high-molecular-weight plasticizer for flexible polymers such as PVC and polyurethane formulations, improving film flexibility, processability, and end-use performance in coatings, inks, and adhesives; it can also function as a lubricating ester or lubricity additive in industrial fluids and metalworking lubricants to reduce friction and wear; in cosmetic and personal care formulations, long-chain adipate esters may act as emollients or non-volatile carriers, contributing to texture and glide; as a chemical intermediate it can be used in the synthesis of specialty ester products or polymeric materials, enabling customized plasticizer profiles; and it may be evaluated as a component in high-temperature or durable coatings where persistent plasticization is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.56
    methanol 3.41
    isopropanol 2.49
    water 0.06
    ethyl acetate 47.29
    n-propanol 4.56
    acetone 27.17
    n-butanol 5.11
    acetonitrile 10.61
    DMF 49.23
    toluene 29.12
    isobutanol 4.61
    1,4-dioxane 49.31
    methyl acetate 32.72
    THF 145.07
    2-butanone 43.89
    n-pentanol 6.68
    sec-butanol 6.3
    n-hexane 6.24
    ethylene glycol 0.51
    NMP 314.68
    cyclohexane 25.71
    DMSO 64.06
    n-butyl acetate 54.09
    n-octanol 15.58
    chloroform 247.0
    n-propyl acetate 58.0
    acetic acid 17.84
    dichloromethane 260.95
    cyclohexanone 177.03
    propylene glycol 1.35
    isopropyl acetate 46.47
    DMAc 176.33
    2-ethoxyethanol 18.91
    isopentanol 7.23
    n-heptane 6.08
    ethyl formate 22.16
    1,2-dichloroethane 133.55
    n-hexanol 6.32
    2-methoxyethanol 14.33
    isobutyl acetate 38.29
    tetrachloromethane 53.46
    n-pentyl acetate 114.39
    transcutol 155.84
    n-heptanol 11.76
    ethylbenzene 24.42
    MIBK 39.37
    2-propoxyethanol 20.77
    tert-butanol 6.11
    MTBE 23.11
    2-butoxyethanol 38.38
    propionic acid 16.08
    o-xylene 31.54
    formic acid 4.7
    diethyl ether 17.46
    m-xylene 23.11
    p-xylene 36.89
    chlorobenzene 68.2
    dimethyl carbonate 21.62
    n-octane 4.04
    formamide 10.02
    cyclopentanone 183.58
    2-pentanone 41.33
    anisole 43.53
    cyclopentyl methyl ether 87.59
    gamma-butyrolactone 192.97
    1-methoxy-2-propanol 16.83
    pyridine 80.5
    3-pentanone 50.92
    furfural 152.55
    n-dodecane 2.26
    diethylene glycol 7.33
    diisopropyl ether 13.25
    tert-amyl alcohol 14.02
    acetylacetone 80.95
    n-hexadecane 2.77
    acetophenone 77.13
    methyl propionate 40.65
    isopentyl acetate 58.85
    trichloroethylene 289.92
    n-nonanol 17.66
    cyclohexanol 22.14
    benzyl alcohol 19.74
    2-ethylhexanol 12.04
    isooctanol 14.23
    dipropyl ether 31.78
    1,2-dichlorobenzene 111.11
    ethyl lactate 24.85
    propylene carbonate 121.04
    n-methylformamide 17.03
    2-pentanol 5.76
    n-pentane 3.09
    1-propoxy-2-propanol 26.75
    1-methoxy-2-propyl acetate 65.24
    2-(2-methoxypropoxy) propanol 54.24
    mesitylene 19.83
    ε-caprolactone 175.16
    p-cymene 21.14
    epichlorohydrin 180.1
    1,1,1-trichloroethane 167.85
    2-aminoethanol 1.84
    morpholine-4-carbaldehyde 127.39
    sulfolane 395.55
    2,2,4-trimethylpentane 5.65
    2-methyltetrahydrofuran 111.51
    n-hexyl acetate 105.81
    isooctane 2.37
    2-(2-butoxyethoxy)ethanol 57.19
    sec-butyl acetate 52.56
    tert-butyl acetate 78.07
    decalin 13.24
    glycerin 3.49
    diglyme 167.63
    acrylic acid 14.1
    isopropyl myristate 31.6
    n-butyric acid 33.19
    acetyl acetate 50.69
    di(2-ethylhexyl) phthalate 31.14
    ethyl propionate 58.96
    nitromethane 59.15
    1,2-diethoxyethane 76.1
    benzonitrile 35.7
    trioctyl phosphate 20.17
    1-bromopropane 55.35
    gamma-valerolactone 240.49
    n-decanol 10.62
    triethyl phosphate 58.01
    4-methyl-2-pentanol 6.12
    propionitrile 13.01
    vinylene carbonate 96.05
    1,1,2-trichlorotrifluoroethane 125.11
    DMS 61.27
    cumene 18.87
    2-octanol 13.16
    2-hexanone 51.73
    octyl acetate 38.94
    limonene 35.54
    1,2-dimethoxyethane 67.65
    ethyl orthosilicate 54.54
    tributyl phosphate 31.16
    diacetone alcohol 50.46
    N,N-dimethylaniline 40.46
    acrylonitrile 16.1
    aniline 21.51
    1,3-propanediol 3.64
    bromobenzene 94.38
    dibromomethane 138.29
    1,1,2,2-tetrachloroethane 279.4
    2-methyl-cyclohexyl acetate 77.18
    tetrabutyl urea 53.15
    diisobutyl methanol 11.2
    2-phenylethanol 18.68
    styrene 27.49
    dioctyl adipate 65.17
    dimethyl sulfate 72.6
    ethyl butyrate 73.05
    methyl lactate 19.11
    butyl lactate 63.56
    diethyl carbonate 44.92
    propanediol butyl ether 27.17
    triethyl orthoformate 72.99
    p-tert-butyltoluene 19.59
    methyl 4-tert-butylbenzoate 106.11
    morpholine 56.6
    tert-butylamine 5.29
    n-dodecanol 7.08
    dimethoxymethane 30.64
    ethylene carbonate 77.18
    cyrene 73.15
    2-ethoxyethyl acetate 125.76
    2-ethylhexyl acetate 58.93
    1,2,4-trichlorobenzene 144.91
    4-methylpyridine 75.74
    dibutyl ether 48.78
    2,6-dimethyl-4-heptanol 11.2
    DEF 75.42
    dimethyl isosorbide 159.55
    tetrachloroethylene 166.47
    eugenol 67.95
    triacetin 143.67
    span 80 48.77
    1,4-butanediol 2.42
    1,1-dichloroethane 87.97
    2-methyl-1-pentanol 10.94
    methyl formate 16.02
    2-methyl-1-butanol 8.53
    n-decane 5.65
    butyronitrile 14.19
    3,7-dimethyl-1-octanol 18.07
    1-chlorooctane 27.55
    1-chlorotetradecane 7.75
    n-nonane 5.28
    undecane 3.29
    tert-butylcyclohexane 8.51
    cyclooctane 8.85
    cyclopentanol 22.0
    tetrahydropyran 71.32
    tert-amyl methyl ether 35.19
    2,5,8-trioxanonane 92.98
    1-hexene 12.7
    2-isopropoxyethanol 17.95
    2,2,2-trifluoroethanol 16.06
    methyl butyrate 80.2

    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