Hexadecanedioic acid, dimethyl ester

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  • Identifiers

    CAS number
    19102-90-0

    Molecular formula
    C18H34O4

    SMILES
    COC(=O)CCCCCCCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 68.52%
    Waxy 58.83%
    Oily 57.74%
    Fruity 42.82%
    Winey 37.48%
    Sweet 35.48%
    Creamy 34.85%
    Buttery 30.5%
    Odorless 28.04%
    Dairy 26.93%

     

    Flavor
    Waxy 75.66%
    Oily 53.47%
    Fruity 52.41%
    Sweet 48.43%
    Soapy 47.05%
    Fatty 46.16%
    Creamy 42.52%
    Mild 38.11%
    Coconut 36.17%
    Clean 32.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    7.15 (neutral)

    Molecular weight
    314.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    373°C

    Flash point

    • 168.07 ˚C est.

  • Synonyms

    • 19102-90-0
    • Hexadecanedioic acid, dimethyl ester
    • DTXSID30172628
    • RefChem:1086517
    • DTXCID1095119
    • Dimethyl hexadecanedioate
    • Hexadecanedioic acid, 1,16-dimethyl ester
    • MFCD00039806
    • Hexadecanedioic Acid Dimethyl Ester
    • Hexadecanedioic acid,1,16-dimethyl ester
    • 1,16-dimethyl hexadecanedioate
    • Dimethyl thapsate
    • Thapsic acid, dimethyl ester
    • SCHEMBL494569
    • Hexadecadioic acid, dimethyl ester
    • Hexadecandioic acid, dimethyl ester
    • AKOS027430441
    • HY-W098048
    • AS-64978
    • SY054615
    • DB-044753
    • CS-0150690
    • D3554
    • T70488
    • 1,14-Tetradecanedicarboxylic acid dimethyl ester
    • F692618
    • 19102-90-0

  • Applications

    Hexadecanedioic acid, dimethyl ester (CAS 19102-90-0) is used as an aliphatic diester intermediate in the production of polyesters and polyurethanes, enabling the synthesis of flexible, high-molecular-weight polymers. It may be used as a plasticizer for PVC and other polymers to improve flexibility and processability, and can act as a processing aid/solvent with a high boiling point for coatings, inks, and adhesives. In addition, it can function as a lubricant or lubricant component in formulated products, and serves as a building block for specialty polymer syntheses, including biodegradable polyester routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.64
    methanol 6.02
    isopropanol 4.34
    water 0.01
    ethyl acetate 45.51
    n-propanol 4.86
    acetone 35.55
    n-butanol 5.59
    acetonitrile 17.56
    DMF 89.23
    toluene 29.69
    isobutanol 5.52
    1,4-dioxane 74.47
    methyl acetate 37.89
    THF 223.52
    2-butanone 45.72
    n-pentanol 7.9
    sec-butanol 7.55
    n-hexane 3.63
    ethylene glycol 0.65
    NMP 290.79
    cyclohexane 14.74
    DMSO 146.66
    n-butyl acetate 52.58
    n-octanol 12.13
    chloroform 328.74
    n-propyl acetate 66.94
    acetic acid 23.29
    dichloromethane 353.46
    cyclohexanone 187.14
    propylene glycol 1.79
    isopropyl acetate 49.1
    DMAc 200.72
    2-ethoxyethanol 30.69
    isopentanol 9.44
    n-heptane 3.07
    ethyl formate 25.53
    1,2-dichloroethane 178.54
    n-hexanol 7.37
    2-methoxyethanol 25.16
    isobutyl acetate 41.6
    tetrachloromethane 48.49
    n-pentyl acetate 75.49
    transcutol 210.07
    n-heptanol 9.42
    ethylbenzene 25.75
    MIBK 45.87
    2-propoxyethanol 29.72
    tert-butanol 15.6
    MTBE 35.37
    2-butoxyethanol 36.16
    propionic acid 17.14
    o-xylene 33.01
    formic acid 5.43
    diethyl ether 20.62
    m-xylene 24.41
    p-xylene 38.94
    chlorobenzene 73.87
    dimethyl carbonate 18.24
    n-octane 2.07
    formamide 13.58
    cyclopentanone 216.92
    2-pentanone 41.41
    anisole 62.29
    cyclopentyl methyl ether 90.81
    gamma-butyrolactone 227.01
    1-methoxy-2-propanol 27.73
    pyridine 104.27
    3-pentanone 43.63
    furfural 199.38
    n-dodecane 1.38
    diethylene glycol 13.1
    diisopropyl ether 13.55
    tert-amyl alcohol 20.49
    acetylacetone 101.33
    n-hexadecane 1.74
    acetophenone 96.58
    methyl propionate 34.85
    isopentyl acetate 58.56
    trichloroethylene 385.3
    n-nonanol 13.5
    cyclohexanol 23.14
    benzyl alcohol 32.86
    2-ethylhexanol 11.84
    isooctanol 11.59
    dipropyl ether 27.38
    1,2-dichlorobenzene 108.54
    ethyl lactate 26.89
    propylene carbonate 119.61
    n-methylformamide 22.8
    2-pentanol 5.98
    n-pentane 1.71
    1-propoxy-2-propanol 32.62
    1-methoxy-2-propyl acetate 68.68
    2-(2-methoxypropoxy) propanol 58.91
    mesitylene 20.02
    ε-caprolactone 162.92
    p-cymene 17.46
    epichlorohydrin 252.42
    1,1,1-trichloroethane 188.94
    2-aminoethanol 2.33
    morpholine-4-carbaldehyde 179.03
    sulfolane 464.74
    2,2,4-trimethylpentane 3.51
    2-methyltetrahydrofuran 124.91
    n-hexyl acetate 72.44
    isooctane 1.85
    2-(2-butoxyethoxy)ethanol 64.68
    sec-butyl acetate 53.07
    tert-butyl acetate 85.09
    decalin 9.2
    glycerin 5.45
    diglyme 192.86
    acrylic acid 17.4
    isopropyl myristate 25.06
    n-butyric acid 31.78
    acetyl acetate 52.54
    di(2-ethylhexyl) phthalate 25.99
    ethyl propionate 58.33
    nitromethane 87.26
    1,2-diethoxyethane 73.32
    benzonitrile 53.31
    trioctyl phosphate 15.56
    1-bromopropane 62.98
    gamma-valerolactone 289.61
    n-decanol 8.5
    triethyl phosphate 49.03
    4-methyl-2-pentanol 7.25
    propionitrile 16.97
    vinylene carbonate 93.91
    1,1,2-trichlorotrifluoroethane 168.77
    DMS 55.17
    cumene 19.17
    2-octanol 9.6
    2-hexanone 58.19
    octyl acetate 29.63
    limonene 28.54
    1,2-dimethoxyethane 128.26
    ethyl orthosilicate 45.39
    tributyl phosphate 24.83
    diacetone alcohol 64.29
    N,N-dimethylaniline 50.16
    acrylonitrile 24.37
    aniline 27.16
    1,3-propanediol 4.98
    bromobenzene 97.85
    dibromomethane 185.85
    1,1,2,2-tetrachloroethane 370.64
    2-methyl-cyclohexyl acetate 67.52
    tetrabutyl urea 43.09
    diisobutyl methanol 11.54
    2-phenylethanol 26.98
    styrene 33.42
    dioctyl adipate 53.31
    dimethyl sulfate 70.56
    ethyl butyrate 64.07
    methyl lactate 18.79
    butyl lactate 43.69
    diethyl carbonate 43.02
    propanediol butyl ether 28.84
    triethyl orthoformate 59.81
    p-tert-butyltoluene 17.41
    methyl 4-tert-butylbenzoate 83.71
    morpholine 86.72
    tert-butylamine 10.7
    n-dodecanol 6.02
    dimethoxymethane 44.1
    ethylene carbonate 72.79
    cyrene 82.42
    2-ethoxyethyl acetate 93.68
    2-ethylhexyl acetate 51.25
    1,2,4-trichlorobenzene 133.03
    4-methylpyridine 97.79
    dibutyl ether 36.9
    2,6-dimethyl-4-heptanol 11.54
    DEF 85.49
    dimethyl isosorbide 173.89
    tetrachloroethylene 209.56
    eugenol 64.71
    triacetin 110.44
    span 80 46.54
    1,4-butanediol 3.3
    1,1-dichloroethane 120.85
    2-methyl-1-pentanol 13.43
    methyl formate 20.01
    2-methyl-1-butanol 9.05
    n-decane 3.1
    butyronitrile 18.5
    3,7-dimethyl-1-octanol 15.38
    1-chlorooctane 18.2
    1-chlorotetradecane 5.7
    n-nonane 2.87
    undecane 1.93
    tert-butylcyclohexane 6.48
    cyclooctane 4.34
    cyclopentanol 26.53
    tetrahydropyran 80.73
    tert-amyl methyl ether 38.51
    2,5,8-trioxanonane 117.71
    1-hexene 10.95
    2-isopropoxyethanol 28.82
    2,2,2-trifluoroethanol 17.25
    methyl butyrate 88.76

    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