1-Ethyl hexanedioate

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  • Identifiers

    CAS number
    626-86-8

    Molecular formula
    C8H14O4

    SMILES
    CCOC(=O)CCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 62.79%
    Winey 43.51%
    Sour 40.19%
    Fatty 37.08%
    Buttery 33.89%
    Caramellic 31.65%
    Cheesy 28.53%
    Oily 28.21%
    Creamy 28.12%
    Sweet 27.61%

     

    Flavor
    Fruity 67.26%
    Cheese 44.0%
    Pineapple 41.57%
    Sweet 38.0%
    Fruit 35.55%
    Fatty 34.55%
    Tropical 32.65%
    Sour 32.16%
    Odorless 31.12%
    Grape 30.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.38 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 142.89 ˚C est.

  • Synonyms

    • Adipic acid monoethyl ester
    • 626-86-8
    • DTXSID70862319
    • 1-Ethyl hexanedioate
    • RefChem:596213
    • DTXCID10811104
    • 210-966-7
    • 6-Ethoxy-6-oxohexanoic acid
    • Monoethyl adipate
    • Ethyl hydrogen adipate
    • Hexanedioic acid, monoethyl ester
    • Monoethyl hexanedioate
    • MFCD00004419
    • Monoethyladipic acid ester
    • ADIPIC ACID, MONOETHYL ESTER
    • Mono-ethyl adipate
    • Hexanoic acid, monoethyl ester
    • Monoethyl Hexanedioate; NSC 8877
    • MonoethylAdipate
    • NSC 8877
    • EINECS 210-966-7
    • BRN 1769469
    • 1,6-Hexandioic Acid Ethyl Ester; 6-Ethoxy-6-oxohexanoic Acid;
    • 6-ethoxy-6-oxo-hexanoic acid
    • AI3-11210
    • Ethyl Hydrogen Adipate; Ethyl Hydrogen Hexanedioate; Monoethyl Adipate;
    • Hexanedioic acid, 1-ethyl ester
    • Hexanedioic Acid Monoethyl Ester; 1,4-Butanedicarboxylic Acid Monoethyl Ester;
    • Mono ethyl adipate
    • 2-ethylhexanedioate
    • AA-MEG
    • 6-Ethoxy-6-oxohexanoicacid
    • adipic acid mono ethyl ester
    • 6-eEhoxy-6-oxohexanoic acid
    • SCHEMBL391807
    • 6-ethoxy-6-keto-hexanoic acid
    • SCHEMBL8862292
    • SCHEMBL8862293
    • 6-Ethoxy-6-oxohexanoic acid #
    • Hexanedioic Acid Monoethyl Ester
    • 5-(ethoxycarbonyl)pentanoic acid
    • Hexane dioic acid monoethyl ester
    • NSC8877
    • Adipic acid monoethyl ester, 97%
    • NSC-8877
    • GEO-00054
    • SBB065980
    • AKOS005254558
    • CS-W020587
    • SY036142
    • DB-054245
    • A1223
    • A8664
    • NS00043547
    • 626A868
    • F013394
    • Q17325224
    • 9J6
    • 626-86-8

  • Applications

    1-Ethyl hexanedioate (CAS 626-86-8) is the diethyl ester of adipic acid and is widely used as a plasticizer for PVC and other vinyl polymers, improving flexibility in polymer formulations. It also serves as a solvent and processing aid in coatings, paints, inks, and adhesive formulations. As an intermediate, it is used in the synthesis of adipate-based polyesters and resins. In cosmetics and personal care, it acts as a solvent or carrier for fragrance ingredients and active cosmetic components. In household and cleaning products, it functions as a solvent component in cleaners and detergents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.46
    methanol 518.18
    isopropanol 242.82
    water 6.22
    ethyl acetate 65.26
    n-propanol 206.6
    acetone 295.13
    n-butanol 158.02
    acetonitrile 151.49
    DMF 1028.8
    toluene 17.67
    isobutanol 135.38
    1,4-dioxane 242.69
    methyl acetate 97.7
    THF 291.56
    2-butanone 143.98
    n-pentanol 133.81
    sec-butanol 168.16
    n-hexane 7.04
    ethylene glycol 119.64
    NMP 429.86
    cyclohexane 4.52
    DMSO 1116.6
    n-butyl acetate 48.27
    n-octanol 49.88
    chloroform 124.06
    n-propyl acetate 49.79
    acetic acid 399.72
    dichloromethane 138.63
    cyclohexanone 157.76
    propylene glycol 144.42
    isopropyl acetate 43.62
    DMAc 655.51
    2-ethoxyethanol 268.67
    isopentanol 119.37
    n-heptane 2.26
    ethyl formate 106.85
    1,2-dichloroethane 109.17
    n-hexanol 79.2
    2-methoxyethanol 465.32
    isobutyl acetate 32.36
    tetrachloromethane 11.94
    n-pentyl acetate 40.93
    transcutol 338.88
    n-heptanol 37.06
    ethylbenzene 18.44
    MIBK 66.17
    2-propoxyethanol 170.81
    tert-butanol 292.29
    MTBE 98.83
    2-butoxyethanol 86.2
    propionic acid 173.68
    o-xylene 22.6
    formic acid 232.69
    diethyl ether 71.65
    m-xylene 16.88
    p-xylene 25.52
    chlorobenzene 39.09
    dimethyl carbonate 38.27
    n-octane 2.08
    formamide 247.31
    cyclopentanone 211.68
    2-pentanone 101.97
    anisole 66.72
    cyclopentyl methyl ether 73.65
    gamma-butyrolactone 234.14
    1-methoxy-2-propanol 272.47
    pyridine 112.33
    3-pentanone 62.91
    furfural 251.76
    n-dodecane 2.77
    diethylene glycol 186.59
    diisopropyl ether 14.34
    tert-amyl alcohol 203.67
    acetylacetone 127.12
    n-hexadecane 3.07
    acetophenone 74.3
    methyl propionate 71.16
    isopentyl acetate 49.52
    trichloroethylene 157.4
    n-nonanol 43.76
    cyclohexanol 100.3
    benzyl alcohol 88.84
    2-ethylhexanol 36.57
    isooctanol 29.67
    dipropyl ether 24.28
    1,2-dichlorobenzene 43.69
    ethyl lactate 53.11
    propylene carbonate 112.13
    n-methylformamide 347.81
    2-pentanol 84.75
    n-pentane 4.74
    1-propoxy-2-propanol 95.85
    1-methoxy-2-propyl acetate 65.27
    2-(2-methoxypropoxy) propanol 113.18
    mesitylene 12.86
    ε-caprolactone 130.44
    p-cymene 13.03
    epichlorohydrin 225.23
    1,1,1-trichloroethane 54.03
    2-aminoethanol 207.52
    morpholine-4-carbaldehyde 382.79
    sulfolane 403.48
    2,2,4-trimethylpentane 4.57
    2-methyltetrahydrofuran 146.22
    n-hexyl acetate 67.77
    isooctane 2.75
    2-(2-butoxyethoxy)ethanol 148.2
    sec-butyl acetate 31.6
    tert-butyl acetate 64.72
    decalin 5.5
    glycerin 221.38
    diglyme 212.97
    acrylic acid 165.09
    isopropyl myristate 26.74
    n-butyric acid 157.75
    acetyl acetate 45.26
    di(2-ethylhexyl) phthalate 41.52
    ethyl propionate 46.36
    nitromethane 451.93
    1,2-diethoxyethane 72.92
    benzonitrile 80.73
    trioctyl phosphate 27.83
    1-bromopropane 53.48
    gamma-valerolactone 319.68
    n-decanol 32.39
    triethyl phosphate 29.6
    4-methyl-2-pentanol 46.86
    propionitrile 96.39
    vinylene carbonate 106.93
    1,1,2-trichlorotrifluoroethane 221.55
    DMS 50.97
    cumene 15.99
    2-octanol 30.14
    2-hexanone 77.08
    octyl acetate 37.82
    limonene 19.45
    1,2-dimethoxyethane 350.57
    ethyl orthosilicate 27.12
    tributyl phosphate 34.85
    diacetone alcohol 130.56
    N,N-dimethylaniline 58.85
    acrylonitrile 135.95
    aniline 53.78
    1,3-propanediol 253.12
    bromobenzene 30.24
    dibromomethane 83.26
    1,1,2,2-tetrachloroethane 151.7
    2-methyl-cyclohexyl acetate 42.24
    tetrabutyl urea 53.41
    diisobutyl methanol 22.8
    2-phenylethanol 58.31
    styrene 24.49
    dioctyl adipate 46.83
    dimethyl sulfate 110.85
    ethyl butyrate 35.72
    methyl lactate 84.1
    butyl lactate 51.64
    diethyl carbonate 27.09
    propanediol butyl ether 122.45
    triethyl orthoformate 30.46
    p-tert-butyltoluene 13.65
    methyl 4-tert-butylbenzoate 74.04
    morpholine 311.6
    tert-butylamine 125.69
    n-dodecanol 24.15
    dimethoxymethane 212.63
    ethylene carbonate 79.79
    cyrene 121.38
    2-ethoxyethyl acetate 59.29
    2-ethylhexyl acetate 34.44
    1,2,4-trichlorobenzene 54.67
    4-methylpyridine 122.65
    dibutyl ether 35.19
    2,6-dimethyl-4-heptanol 22.8
    DEF 167.48
    dimethyl isosorbide 144.0
    tetrachloroethylene 79.79
    eugenol 84.06
    triacetin 72.03
    span 80 93.86
    1,4-butanediol 126.1
    1,1-dichloroethane 75.19
    2-methyl-1-pentanol 103.57
    methyl formate 215.12
    2-methyl-1-butanol 112.64
    n-decane 4.28
    butyronitrile 103.54
    3,7-dimethyl-1-octanol 44.77
    1-chlorooctane 19.42
    1-chlorotetradecane 8.5
    n-nonane 3.74
    undecane 3.37
    tert-butylcyclohexane 5.56
    cyclooctane 1.64
    cyclopentanol 133.68
    tetrahydropyran 136.47
    tert-amyl methyl ether 75.29
    2,5,8-trioxanonane 181.09
    1-hexene 30.11
    2-isopropoxyethanol 141.95
    2,2,2-trifluoroethanol 112.03
    methyl butyrate 76.7

    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