Decanedioic acid, 1-ethyl ester

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  • Identifiers

    CAS number
    693-55-0

    Molecular formula
    C12H22O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 54.55%
    Fruity 50.87%
    Oily 36.16%
    Winey 35.4%
    Buttery 34.75%
    Waxy 31.51%
    Creamy 31.25%
    Sour 31.23%
    Dairy 28.96%
    Milky 27.68%

     

    Flavor
    Fruity 73.3%
    Waxy 57.45%
    Fatty 46.01%
    Cheese 44.61%
    Sweet 40.26%
    Pineapple 40.21%
    Green 39.92%
    Oily 39.89%
    Tropical 37.59%
    Fruit 35.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.95 (neutral)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 164.06 ˚C est.

  • Synonyms

    • Ethyl hydrogen sebacate
    • 10-ethoxy-10-oxodecanoic acid
    • Decanedioic acid, 1-ethyl ester
    • Monoethyl sebacate
    • Sebacic acid, monoethyl ester
    • Decanedioic acid, monoethyl ester
    • 5QK6SW872Q
    • EINECS 211-753-1
    • NSC 53961
    • NSC-53961
    • Sebacic acid, ethyl ester
    • DTXSID80883479
    • RefChem:585387
    • DTXCID501023008
    • 693-55-0
    • Decanedioic acid monoethyl ester
    • MFCD00014387
    • Mono Ethyl Sebacate
    • Sebacinsaureathylester
    • 1-Ethyl decanedioate
    • MONO-ETHYL SEBACATE
    • UNII-5QK6SW872Q
    • SCHEMBL896704
    • orb1986161
    • 9-(ethoxycarbonyl)nonanoic acid
    • SCHEMBL10802487
    • SCHEMBL11584349
    • 10-ethoxy-10-keto-capric acid
    • 10-ethoxy-10-oxo-decanoic acid
    • NSC53961
    • SBB069512
    • AKOS024272192
    • AS-60377
    • DB-055257
    • CS-0363791
    • NS00042789
    • 693-55-0

  • Applications

    Decanedioic acid, 1-ethyl ester (CAS number: 693-55-0) is commonly used as a plasticizer for polymers, particularly PVC, to improve flexibility and processability. It also functions as a processing solvent and aid in coatings and inks, providing a stable solvent system for resin and pigment formulations. In cosmetics and personal care, it can serve as a solvent and carrier for active ingredients and may act as a fragrance solvent. In perfumery and fragrance applications, it can provide fixative properties and assist in scent diffusion. In industrial manufacturing, it is used as a solvent and processing aid and as an intermediate in polyester and specialty polymer synthesis; its use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 279.07
    methanol 410.21
    isopropanol 190.02
    water 0.15
    ethyl acetate 105.49
    n-propanol 159.05
    acetone 255.53
    n-butanol 138.82
    acetonitrile 85.37
    DMF 698.45
    toluene 47.49
    isobutanol 117.08
    1,4-dioxane 232.2
    methyl acetate 96.96
    THF 637.89
    2-butanone 154.0
    n-pentanol 129.79
    sec-butanol 130.66
    n-hexane 10.56
    ethylene glycol 42.46
    NMP 617.24
    cyclohexane 11.02
    DMSO 1410.38
    n-butyl acetate 122.02
    n-octanol 44.98
    chloroform 246.69
    n-propyl acetate 114.49
    acetic acid 240.48
    dichloromethane 281.96
    cyclohexanone 332.45
    propylene glycol 84.11
    isopropyl acetate 99.69
    DMAc 578.67
    2-ethoxyethanol 249.35
    isopentanol 135.95
    n-heptane 3.55
    ethyl formate 87.53
    1,2-dichloroethane 223.65
    n-hexanol 87.86
    2-methoxyethanol 391.89
    isobutyl acetate 86.58
    tetrachloromethane 25.93
    n-pentyl acetate 84.89
    transcutol 762.19
    n-heptanol 41.17
    ethylbenzene 43.05
    MIBK 129.34
    2-propoxyethanol 211.26
    tert-butanol 258.56
    MTBE 141.03
    2-butoxyethanol 116.61
    propionic acid 146.19
    o-xylene 52.89
    formic acid 106.87
    diethyl ether 106.21
    m-xylene 48.14
    p-xylene 54.14
    chlorobenzene 88.58
    dimethyl carbonate 45.76
    n-octane 2.36
    formamide 167.45
    cyclopentanone 455.96
    2-pentanone 160.02
    anisole 106.51
    cyclopentyl methyl ether 206.4
    gamma-butyrolactone 467.45
    1-methoxy-2-propanol 298.7
    pyridine 181.95
    3-pentanone 93.0
    furfural 356.66
    n-dodecane 2.69
    diethylene glycol 171.26
    diisopropyl ether 33.87
    tert-amyl alcohol 183.54
    acetylacetone 228.26
    n-hexadecane 3.12
    acetophenone 130.86
    methyl propionate 96.54
    isopentyl acetate 123.61
    trichloroethylene 359.59
    n-nonanol 41.7
    cyclohexanol 137.52
    benzyl alcohol 107.82
    2-ethylhexanol 53.84
    isooctanol 36.89
    dipropyl ether 53.19
    1,2-dichlorobenzene 99.41
    ethyl lactate 69.32
    propylene carbonate 213.82
    n-methylformamide 208.85
    2-pentanol 86.02
    n-pentane 5.71
    1-propoxy-2-propanol 146.65
    1-methoxy-2-propyl acetate 149.71
    2-(2-methoxypropoxy) propanol 155.33
    mesitylene 34.06
    ε-caprolactone 274.14
    p-cymene 25.34
    epichlorohydrin 437.58
    1,1,1-trichloroethane 133.65
    2-aminoethanol 126.55
    morpholine-4-carbaldehyde 445.01
    sulfolane 801.5
    2,2,4-trimethylpentane 6.68
    2-methyltetrahydrofuran 307.6
    n-hexyl acetate 120.08
    isooctane 4.66
    2-(2-butoxyethoxy)ethanol 209.76
    sec-butyl acetate 80.88
    tert-butyl acetate 151.8
    decalin 12.38
    glycerin 136.65
    diglyme 377.97
    acrylic acid 127.83
    isopropyl myristate 44.66
    n-butyric acid 196.61
    acetyl acetate 86.13
    di(2-ethylhexyl) phthalate 59.23
    ethyl propionate 90.86
    nitromethane 357.69
    1,2-diethoxyethane 152.13
    benzonitrile 107.48
    trioctyl phosphate 37.9
    1-bromopropane 107.93
    gamma-valerolactone 534.74
    n-decanol 29.75
    triethyl phosphate 58.16
    4-methyl-2-pentanol 60.06
    propionitrile 76.34
    vinylene carbonate 170.27
    1,1,2-trichlorotrifluoroethane 310.74
    DMS 96.87
    cumene 32.94
    2-octanol 30.98
    2-hexanone 135.78
    octyl acetate 57.65
    limonene 40.85
    1,2-dimethoxyethane 381.33
    ethyl orthosilicate 55.46
    tributyl phosphate 54.97
    diacetone alcohol 212.9
    N,N-dimethylaniline 89.53
    acrylonitrile 106.7
    aniline 87.06
    1,3-propanediol 178.74
    bromobenzene 90.49
    dibromomethane 185.84
    1,1,2,2-tetrachloroethane 334.66
    2-methyl-cyclohexyl acetate 97.77
    tetrabutyl urea 79.24
    diisobutyl methanol 33.92
    2-phenylethanol 85.8
    styrene 53.38
    dioctyl adipate 90.16
    dimethyl sulfate 145.43
    ethyl butyrate 86.58
    methyl lactate 92.1
    butyl lactate 89.69
    diethyl carbonate 59.96
    propanediol butyl ether 148.09
    triethyl orthoformate 68.95
    p-tert-butyltoluene 25.01
    methyl 4-tert-butylbenzoate 118.64
    morpholine 374.17
    tert-butylamine 125.39
    n-dodecanol 22.16
    dimethoxymethane 238.34
    ethylene carbonate 134.91
    cyrene 171.64
    2-ethoxyethyl acetate 129.07
    2-ethylhexyl acetate 91.45
    1,2,4-trichlorobenzene 117.33
    4-methylpyridine 190.71
    dibutyl ether 60.56
    2,6-dimethyl-4-heptanol 33.92
    DEF 223.84
    dimethyl isosorbide 263.52
    tetrachloroethylene 182.52
    eugenol 115.43
    triacetin 145.7
    span 80 138.74
    1,4-butanediol 78.15
    1,1-dichloroethane 153.06
    2-methyl-1-pentanol 121.58
    methyl formate 112.63
    2-methyl-1-butanol 116.5
    n-decane 4.46
    butyronitrile 103.4
    3,7-dimethyl-1-octanol 50.53
    1-chlorooctane 25.32
    1-chlorotetradecane 10.67
    n-nonane 3.85
    undecane 3.33
    tert-butylcyclohexane 10.4
    cyclooctane 3.75
    cyclopentanol 189.2
    tetrahydropyran 238.53
    tert-amyl methyl ether 113.49
    2,5,8-trioxanonane 275.96
    1-hexene 53.98
    2-isopropoxyethanol 169.67
    2,2,2-trifluoroethanol 68.88
    methyl butyrate 142.33

    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