3-Hydroxydecanedioc acid dimethyl ester

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  • Identifiers

    CAS number
    93090-88-1

    Molecular formula
    C12H22O5

    SMILES
    COC(=O)CCCCCCC(CC(=O)OC)O

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  • Odor profile

    Fragrance
    Fruity 80.83%
    Winey 44.83%
    Oily 42.84%
    Sweet 41.66%
    Fatty 38.8%
    Fresh 31.35%
    Tropical 30.2%
    Peach 30.08%
    Buttery 28.28%
    Pineapple 28.11%

     

    Flavor
    Fruity 82.82%
    Tropical 46.21%
    Floral 42.61%
    Sweet 42.59%
    Waxy 41.23%
    Green 38.07%
    Oily 37.86%
    Pineapple 37.25%
    Grape 33.64%
    Berry 32.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.01 (neutral)

    Molecular weight
    246.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point

    • 146.83 ˚C est.

  • Synonyms

    • Dimethyl 3-hydroxydecanedioate
    • 3-Hdade
    • 3-Hydroxydecanedioc acid dimethyl ester
    • 93090-88-1
    • 3-Hydroxydecandioic acid dimethylate
    • DTXSID10918723
    • RefChem:94289
    • DTXCID601347669
    • SZLTZVUJGVLTSM-UHFFFAOYSA-N
    • Decanedioic acid, 3-hydroxy, dimethyl ester
    • Decanedioic acid, 3-hydroxy-, dimethyl ester
    • 93090-88-1

  • Applications

    3-Hydroxydecanedioc acid dimethyl ester, CAS 93090-88-1, is commonly used as a building block for polymers, particularly polyurethanes and polyesters, owing to its reactive hydroxyl group that can react with isocyanates to form urethane linkages. It is also employed as a component in polymer formulations for coatings, inks, and adhesives, where the hydroxyl functionality participates in curing or acts as a reactive site. Additionally, this ester can serve as a plasticizer or processing aid in polymer systems and may be converted into ester or urethane derivatives for specialty polymers or sebacic-based plastics, depending on processing needs and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 89.28
    methanol 173.38
    isopropanol 62.24
    water 0.3
    ethyl acetate 39.04
    n-propanol 50.52
    acetone 113.81
    n-butanol 41.48
    acetonitrile 42.69
    DMF 360.25
    toluene 18.82
    isobutanol 35.77
    1,4-dioxane 133.05
    methyl acetate 45.49
    THF 308.34
    2-butanone 58.31
    n-pentanol 34.21
    sec-butanol 41.38
    n-hexane 1.1
    ethylene glycol 24.13
    NMP 327.73
    cyclohexane 2.63
    DMSO 909.36
    n-butyl acetate 27.9
    n-octanol 13.15
    chloroform 147.31
    n-propyl acetate 32.18
    acetic acid 176.18
    dichloromethane 155.11
    cyclohexanone 150.44
    propylene glycol 45.32
    isopropyl acetate 30.73
    DMAc 362.47
    2-ethoxyethanol 121.14
    isopentanol 40.31
    n-heptane 0.61
    ethyl formate 41.9
    1,2-dichloroethane 107.85
    n-hexanol 20.55
    2-methoxyethanol 220.75
    isobutyl acetate 21.66
    tetrachloromethane 13.45
    n-pentyl acetate 19.23
    transcutol 300.7
    n-heptanol 11.06
    ethylbenzene 14.58
    MIBK 42.57
    2-propoxyethanol 76.24
    tert-butanol 101.21
    MTBE 36.1
    2-butoxyethanol 42.19
    propionic acid 69.72
    o-xylene 21.85
    formic acid 97.9
    diethyl ether 24.24
    m-xylene 17.25
    p-xylene 19.44
    chlorobenzene 34.85
    dimethyl carbonate 23.7
    n-octane 0.47
    formamide 139.82
    cyclopentanone 220.57
    2-pentanone 50.34
    anisole 43.64
    cyclopentyl methyl ether 70.28
    gamma-butyrolactone 241.07
    1-methoxy-2-propanol 141.68
    pyridine 89.49
    3-pentanone 35.07
    furfural 212.64
    n-dodecane 0.55
    diethylene glycol 87.92
    diisopropyl ether 6.67
    tert-amyl alcohol 65.85
    acetylacetone 98.18
    n-hexadecane 0.66
    acetophenone 60.65
    methyl propionate 40.66
    isopentyl acetate 30.04
    trichloroethylene 212.92
    n-nonanol 12.86
    cyclohexanol 52.18
    benzyl alcohol 49.83
    2-ethylhexanol 13.59
    isooctanol 10.45
    dipropyl ether 11.23
    1,2-dichlorobenzene 41.45
    ethyl lactate 32.65
    propylene carbonate 96.57
    n-methylformamide 114.83
    2-pentanol 22.18
    n-pentane 0.71
    1-propoxy-2-propanol 45.41
    1-methoxy-2-propyl acetate 48.59
    2-(2-methoxypropoxy) propanol 70.64
    mesitylene 11.02
    ε-caprolactone 119.85
    p-cymene 8.51
    epichlorohydrin 222.93
    1,1,1-trichloroethane 64.89
    2-aminoethanol 58.38
    morpholine-4-carbaldehyde 242.77
    sulfolane 423.41
    2,2,4-trimethylpentane 1.38
    2-methyltetrahydrofuran 120.8
    n-hexyl acetate 31.99
    isooctane 0.84
    2-(2-butoxyethoxy)ethanol 84.43
    sec-butyl acetate 22.25
    tert-butyl acetate 49.44
    decalin 2.67
    glycerin 99.83
    diglyme 175.25
    acrylic acid 74.67
    isopropyl myristate 12.1
    n-butyric acid 81.14
    acetyl acetate 39.34
    di(2-ethylhexyl) phthalate 22.19
    ethyl propionate 29.21
    nitromethane 246.19
    1,2-diethoxyethane 40.77
    benzonitrile 47.87
    trioctyl phosphate 12.9
    1-bromopropane 32.26
    gamma-valerolactone 278.94
    n-decanol 8.85
    triethyl phosphate 23.45
    4-methyl-2-pentanol 16.12
    propionitrile 33.08
    vinylene carbonate 84.87
    1,1,2-trichlorotrifluoroethane 213.76
    DMS 37.13
    cumene 11.07
    2-octanol 7.4
    2-hexanone 40.35
    octyl acetate 16.16
    limonene 12.57
    1,2-dimethoxyethane 184.71
    ethyl orthosilicate 21.1
    tributyl phosphate 18.08
    diacetone alcohol 91.1
    N,N-dimethylaniline 37.25
    acrylonitrile 53.33
    aniline 39.57
    1,3-propanediol 87.02
    bromobenzene 30.8
    dibromomethane 84.32
    1,1,2,2-tetrachloroethane 185.43
    2-methyl-cyclohexyl acetate 34.12
    tetrabutyl urea 28.35
    diisobutyl methanol 9.3
    2-phenylethanol 33.89
    styrene 17.83
    dioctyl adipate 29.63
    dimethyl sulfate 81.18
    ethyl butyrate 25.66
    methyl lactate 49.16
    butyl lactate 29.3
    diethyl carbonate 21.11
    propanediol butyl ether 59.38
    triethyl orthoformate 23.45
    p-tert-butyltoluene 8.06
    methyl 4-tert-butylbenzoate 50.75
    morpholine 203.99
    tert-butylamine 34.52
    n-dodecanol 6.25
    dimethoxymethane 106.86
    ethylene carbonate 62.32
    cyrene 95.06
    2-ethoxyethyl acetate 38.44
    2-ethylhexyl acetate 22.21
    1,2,4-trichlorobenzene 54.74
    4-methylpyridine 82.31
    dibutyl ether 13.87
    2,6-dimethyl-4-heptanol 9.3
    DEF 87.12
    dimethyl isosorbide 121.59
    tetrachloroethylene 102.77
    eugenol 49.97
    triacetin 56.08
    span 80 54.27
    1,4-butanediol 32.58
    1,1-dichloroethane 65.12
    2-methyl-1-pentanol 34.27
    methyl formate 72.75
    2-methyl-1-butanol 34.8
    n-decane 0.95
    butyronitrile 34.79
    3,7-dimethyl-1-octanol 15.1
    1-chlorooctane 6.35
    1-chlorotetradecane 2.42
    n-nonane 0.81
    undecane 0.69
    tert-butylcyclohexane 2.0
    cyclooctane 0.91
    cyclopentanol 71.65
    tetrahydropyran 90.01
    tert-amyl methyl ether 31.8
    2,5,8-trioxanonane 128.09
    1-hexene 6.75
    2-isopropoxyethanol 67.0
    2,2,2-trifluoroethanol 60.25
    methyl butyrate 48.26

    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