Butyl 2,3-dihydroxypropyl sebacate

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  • Identifiers

    CAS number
    94109-50-9

    Molecular formula
    C17H32O6

    SMILES
    CCCCOC(=O)CCCCCCCCC(=O)OCC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 49.85%
    Fruity 49.52%
    Oily 47.92%
    Buttery 37.32%
    Odorless 34.51%
    Peach 33.43%
    Lactonic 30.18%
    Winey 30.04%
    Creamy 26.12%
    Waxy 25.33%

     

    Flavor
    Fruity 57.64%
    Waxy 56.04%
    Fatty 38.94%
    Oily 37.18%
    Sweet 36.17%
    Creamy 35.19%
    Mild 34.05%
    Wine 32.57%
    Cheese 30.03%
    Odorless 29.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.64 (neutral)

    Molecular weight
    332.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    439°C

    Flash point

    • 199.82 ˚C est.

  • Synonyms

    • Butyl 2,3-dihydroxypropyl sebacate
    • EINECS 302-492-5
    • 94109-50-9
    • DTXSID40916434
    • OFEWUYLHIHVRFQ-UHFFFAOYSA-N
    • Butyl 2,3-dihydroxypropyl decanedioate
    • NS00063798
    • 94109-50-9

  • Applications

    Butyl 2,3-dihydroxypropyl sebacate (CAS 94109-50-9) is primarily used as a plasticizer in polymer formulations to improve the flexibility of PVC, polyurethane, and other flexible resins; it can also function as a humectant/emollient in cosmetics and personal care products, helping to retain moisture. In coatings and inks, it serves as a processing aid and co-solvent to improve flow, film formation, and flexibility of the finished layer. It is also used as an additive in adhesives to modulate tack and flexibility. In industrial manufacturing, it may act as a solvent or processing intermediate for polymer synthesis and formulation, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.85
    methanol 151.52
    isopropanol 31.73
    water 0.82
    ethyl acetate 43.8
    n-propanol 38.09
    acetone 101.23
    n-butanol 34.41
    acetonitrile 32.68
    DMF 244.5
    toluene 18.99
    isobutanol 27.08
    1,4-dioxane 96.07
    methyl acetate 48.47
    THF 232.93
    2-butanone 64.61
    n-pentanol 35.46
    sec-butanol 32.89
    n-hexane 1.73
    ethylene glycol 16.18
    NMP 359.88
    cyclohexane 6.92
    DMSO 854.0
    n-butyl acetate 36.54
    n-octanol 24.7
    chloroform 109.25
    n-propyl acetate 51.29
    acetic acid 156.64
    dichloromethane 139.3
    cyclohexanone 196.19
    propylene glycol 26.3
    isopropyl acetate 42.53
    DMAc 420.29
    2-ethoxyethanol 123.78
    isopentanol 38.12
    n-heptane 1.57
    ethyl formate 45.86
    1,2-dichloroethane 108.67
    n-hexanol 20.04
    2-methoxyethanol 174.31
    isobutyl acetate 31.15
    tetrachloromethane 14.98
    n-pentyl acetate 48.76
    transcutol 423.22
    n-heptanol 21.06
    ethylbenzene 15.56
    MIBK 49.71
    2-propoxyethanol 77.81
    tert-butanol 54.85
    MTBE 33.02
    2-butoxyethanol 76.22
    propionic acid 66.74
    o-xylene 23.68
    formic acid 103.47
    diethyl ether 21.93
    m-xylene 17.43
    p-xylene 21.72
    chlorobenzene 30.11
    dimethyl carbonate 32.78
    n-octane 1.44
    formamide 163.64
    cyclopentanone 205.22
    2-pentanone 58.54
    anisole 40.9
    cyclopentyl methyl ether 71.17
    gamma-butyrolactone 220.33
    1-methoxy-2-propanol 115.44
    pyridine 81.09
    3-pentanone 46.43
    furfural 208.63
    n-dodecane 1.34
    diethylene glycol 77.44
    diisopropyl ether 8.99
    tert-amyl alcohol 52.09
    acetylacetone 118.22
    n-hexadecane 1.51
    acetophenone 69.4
    methyl propionate 47.51
    isopentyl acetate 38.98
    trichloroethylene 176.22
    n-nonanol 23.65
    cyclohexanol 61.06
    benzyl alcohol 50.24
    2-ethylhexanol 16.43
    isooctanol 19.58
    dipropyl ether 16.38
    1,2-dichlorobenzene 40.05
    ethyl lactate 44.65
    propylene carbonate 109.43
    n-methylformamide 95.51
    2-pentanol 22.27
    n-pentane 1.23
    1-propoxy-2-propanol 53.53
    1-methoxy-2-propyl acetate 58.7
    2-(2-methoxypropoxy) propanol 84.87
    mesitylene 13.27
    ε-caprolactone 163.67
    p-cymene 10.82
    epichlorohydrin 201.37
    1,1,1-trichloroethane 58.05
    2-aminoethanol 40.36
    morpholine-4-carbaldehyde 247.79
    sulfolane 462.29
    2,2,4-trimethylpentane 2.19
    2-methyltetrahydrofuran 102.94
    n-hexyl acetate 58.84
    isooctane 1.07
    2-(2-butoxyethoxy)ethanol 122.87
    sec-butyl acetate 35.31
    tert-butyl acetate 61.48
    decalin 4.94
    glycerin 67.83
    diglyme 261.85
    acrylic acid 66.95
    isopropyl myristate 19.75
    n-butyric acid 92.98
    acetyl acetate 48.41
    di(2-ethylhexyl) phthalate 29.91
    ethyl propionate 40.47
    nitromethane 244.73
    1,2-diethoxyethane 66.17
    benzonitrile 44.63
    trioctyl phosphate 20.53
    1-bromopropane 31.01
    gamma-valerolactone 318.74
    n-decanol 15.72
    triethyl phosphate 31.57
    4-methyl-2-pentanol 17.38
    propionitrile 24.6
    vinylene carbonate 91.28
    1,1,2-trichlorotrifluoroethane 225.37
    DMS 50.53
    cumene 12.6
    2-octanol 15.67
    2-hexanone 52.26
    octyl acetate 27.75
    limonene 16.82
    1,2-dimethoxyethane 182.92
    ethyl orthosilicate 30.16
    tributyl phosphate 26.75
    diacetone alcohol 104.35
    N,N-dimethylaniline 38.86
    acrylonitrile 38.99
    aniline 33.87
    1,3-propanediol 65.95
    bromobenzene 29.16
    dibromomethane 73.72
    1,1,2,2-tetrachloroethane 175.32
    2-methyl-cyclohexyl acetate 42.01
    tetrabutyl urea 43.14
    diisobutyl methanol 11.79
    2-phenylethanol 33.49
    styrene 18.63
    dioctyl adipate 47.14
    dimethyl sulfate 94.38
    ethyl butyrate 35.7
    methyl lactate 56.25
    butyl lactate 58.91
    diethyl carbonate 26.18
    propanediol butyl ether 88.14
    triethyl orthoformate 34.34
    p-tert-butyltoluene 10.42
    methyl 4-tert-butylbenzoate 74.22
    morpholine 141.61
    tert-butylamine 23.69
    n-dodecanol 11.23
    dimethoxymethane 101.94
    ethylene carbonate 79.24
    cyrene 114.99
    2-ethoxyethyl acetate 80.72
    2-ethylhexyl acetate 29.96
    1,2,4-trichlorobenzene 54.24
    4-methylpyridine 72.31
    dibutyl ether 25.59
    2,6-dimethyl-4-heptanol 11.79
    DEF 119.78
    dimethyl isosorbide 141.8
    tetrachloroethylene 112.14
    eugenol 70.96
    triacetin 99.4
    span 80 76.1
    1,4-butanediol 31.12
    1,1-dichloroethane 52.59
    2-methyl-1-pentanol 38.39
    methyl formate 65.35
    2-methyl-1-butanol 34.42
    n-decane 2.48
    butyronitrile 27.94
    3,7-dimethyl-1-octanol 22.04
    1-chlorooctane 13.38
    1-chlorotetradecane 4.9
    n-nonane 2.16
    undecane 1.73
    tert-butylcyclohexane 3.24
    cyclooctane 2.43
    cyclopentanol 67.59
    tetrahydropyran 80.19
    tert-amyl methyl ether 34.83
    2,5,8-trioxanonane 171.38
    1-hexene 7.76
    2-isopropoxyethanol 77.2
    2,2,2-trifluoroethanol 74.42
    methyl butyrate 71.96

    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