Mono(2-ethylhexyl) adipate

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  • Identifiers

    CAS number
    4337-65-9

    Molecular formula
    C14H26O4

    SMILES
    CCCCC(CC)COC(=O)CCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 60.83%
    Fatty 48.76%
    Cheesy 38.98%
    Oily 38.73%
    Buttery 31.89%
    Sour 31.62%
    Peach 30.92%
    Milky 29.15%
    Dairy 28.96%
    Creamy 28.62%

     

    Flavor
    Fruity 64.87%
    Cheese 46.34%
    Waxy 40.74%
    Fatty 40.02%
    Oily 39.87%
    Green 39.18%
    Tropical 32.43%
    Pineapple 30.32%
    Sour 29.58%
    Berry 28.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.15 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 174.64 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)

  • Synonyms

    • 2-Ethylhexyl hydrogen adipate
    • 4337-65-9
    • Mono(2-ethylhexyl) adipate
    • 2-ethylhexyl adipate
    • Mono-2-ethylhexyl adipate
    • 6-((2-Ethylhexyl)oxy)-6-oxohexanoic acid
    • CCRIS 4296
    • Hexanedioic acid, mono(2-ethylhexyl) ester
    • 6-[(2-Ethylhexyl)oxy]-6-oxohexanoic acid
    • EINECS 224-386-7
    • D01X12CH07
    • DTXSID3025679
    • ADIPIC ACID, 2-ETHYLHEXYL ESTER
    • ADIPIC ACID, MONO(2-ETHYLHEXYL) ESTER
    • HEXANEDIOIC ACID, 1-(2-ETHYLHEXYL) ESTER
    • Mono2ethylhexyl adipate
    • RefChem:819223
    • 2Ethylhexyl hydrogen adipate
    • Mono(2ethylhexyl) hexanedioate
    • Adipic acid, 2ethylhexyl ester
    • DTXCID405679
    • Adipic acid, mono(2ethylhexyl) ester
    • MONO(2-ETHYLHEXYL) HEXANEDIOATE
    • Hexanedioic acid, mono(2ethylhexyl) ester
    • 224-386-7
    • 6-(2-ethylhexoxy)-6-oxohexanoic acid
    • Hexanedioic acid, mono(2-ethylhexyl)ester
    • MEHA
    • SCHEMBL433435
    • UNII-D01X12CH07
    • MFCD01310621
    • AKOS032961420
    • 6-(2-ethylhexoxy)-6-oxo-hexanoic acid
    • mono(2-ethylhexyl)ester hexanedioic acid
    • AS-59653
    • hexanedioic acid mono(2-ethylhexyl) ester
    • NS00022190
    • NS00076527
    • 6-[(2-Ethylhexyl)oxy]-6-oxohexanoic acid #
    • A12524
    • Q27893579
    • 4337-65-9

  • Applications

    Mono(2-ethylhexyl) adipate (CAS number: 4337-65-9) is primarily used as a plasticizer for PVC and other polymers, improving flexibility and processability. It is also used as a processing aid in coatings, paints, varnishes, and adhesives to enhance handling and softness. As a monoester of adipic acid, it is often used as an intermediate in the synthesis of other adipate plasticizers or related derivatives. Additionally, it can serve as a solvent or co-solvent component in some coating and formulation systems, depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 666.74
    methanol 849.7
    isopropanol 558.65
    water 0.14
    ethyl acetate 194.49
    n-propanol 448.87
    acetone 533.41
    n-butanol 381.56
    acetonitrile 179.8
    DMF 604.89
    toluene 69.54
    isobutanol 301.49
    1,4-dioxane 477.7
    methyl acetate 182.49
    THF 823.02
    2-butanone 325.71
    n-pentanol 355.07
    sec-butanol 377.98
    n-hexane 10.83
    ethylene glycol 45.75
    NMP 378.85
    cyclohexane 16.76
    DMSO 1070.53
    n-butyl acetate 190.4
    n-octanol 87.63
    chloroform 416.66
    n-propyl acetate 183.78
    acetic acid 351.36
    dichloromethane 398.32
    cyclohexanone 477.1
    propylene glycol 121.46
    isopropyl acetate 171.45
    DMAc 587.36
    2-ethoxyethanol 418.43
    isopentanol 333.94
    n-heptane 3.25
    ethyl formate 156.34
    1,2-dichloroethane 338.53
    n-hexanol 218.05
    2-methoxyethanol 552.83
    isobutyl acetate 139.44
    tetrachloromethane 39.67
    n-pentyl acetate 140.19
    transcutol 772.19
    n-heptanol 93.58
    ethylbenzene 59.62
    MIBK 206.88
    2-propoxyethanol 339.94
    tert-butanol 582.09
    MTBE 279.32
    2-butoxyethanol 201.88
    propionic acid 205.48
    o-xylene 66.82
    formic acid 96.3
    diethyl ether 192.11
    m-xylene 59.82
    p-xylene 81.64
    chlorobenzene 131.26
    dimethyl carbonate 44.48
    n-octane 3.21
    formamide 134.8
    cyclopentanone 481.91
    2-pentanone 271.3
    anisole 147.41
    cyclopentyl methyl ether 218.05
    gamma-butyrolactone 421.93
    1-methoxy-2-propanol 417.55
    pyridine 286.09
    3-pentanone 138.27
    furfural 356.51
    n-dodecane 3.87
    diethylene glycol 215.07
    diisopropyl ether 50.29
    tert-amyl alcohol 403.75
    acetylacetone 287.71
    n-hexadecane 4.48
    acetophenone 159.39
    methyl propionate 124.56
    isopentyl acetate 200.77
    trichloroethylene 475.39
    n-nonanol 77.65
    cyclohexanol 249.53
    benzyl alcohol 170.7
    2-ethylhexanol 100.06
    isooctanol 80.87
    dipropyl ether 64.13
    1,2-dichlorobenzene 128.9
    ethyl lactate 90.63
    propylene carbonate 218.96
    n-methylformamide 238.33
    2-pentanol 219.07
    n-pentane 6.62
    1-propoxy-2-propanol 218.57
    1-methoxy-2-propyl acetate 190.89
    2-(2-methoxypropoxy) propanol 185.6
    mesitylene 41.18
    ε-caprolactone 351.78
    p-cymene 34.58
    epichlorohydrin 535.6
    1,1,1-trichloroethane 223.11
    2-aminoethanol 179.75
    morpholine-4-carbaldehyde 394.78
    sulfolane 569.92
    2,2,4-trimethylpentane 9.06
    2-methyltetrahydrofuran 461.33
    n-hexyl acetate 175.65
    isooctane 6.95
    2-(2-butoxyethoxy)ethanol 275.11
    sec-butyl acetate 133.06
    tert-butyl acetate 215.16
    decalin 13.9
    glycerin 137.27
    diglyme 477.72
    acrylic acid 141.21
    isopropyl myristate 61.54
    n-butyric acid 332.62
    acetyl acetate 120.38
    di(2-ethylhexyl) phthalate 80.63
    ethyl propionate 120.62
    nitromethane 390.82
    1,2-diethoxyethane 203.37
    benzonitrile 160.93
    trioctyl phosphate 56.03
    1-bromopropane 183.62
    gamma-valerolactone 619.57
    n-decanol 55.14
    triethyl phosphate 59.54
    4-methyl-2-pentanol 131.26
    propionitrile 157.56
    vinylene carbonate 179.84
    1,1,2-trichlorotrifluoroethane 316.16
    DMS 103.88
    cumene 46.1
    2-octanol 68.92
    2-hexanone 237.44
    octyl acetate 81.64
    limonene 52.44
    1,2-dimethoxyethane 582.32
    ethyl orthosilicate 58.81
    tributyl phosphate 68.63
    diacetone alcohol 306.52
    N,N-dimethylaniline 102.44
    acrylonitrile 169.12
    aniline 127.57
    1,3-propanediol 313.13
    bromobenzene 125.04
    dibromomethane 277.33
    1,1,2,2-tetrachloroethane 453.97
    2-methyl-cyclohexyl acetate 118.03
    tetrabutyl urea 89.19
    diisobutyl methanol 57.61
    2-phenylethanol 144.87
    styrene 76.24
    dioctyl adipate 103.45
    dimethyl sulfate 100.05
    ethyl butyrate 113.5
    methyl lactate 92.92
    butyl lactate 131.04
    diethyl carbonate 71.52
    propanediol butyl ether 212.3
    triethyl orthoformate 80.2
    p-tert-butyltoluene 33.51
    methyl 4-tert-butylbenzoate 148.31
    morpholine 700.19
    tert-butylamine 246.29
    n-dodecanol 39.73
    dimethoxymethane 265.2
    ethylene carbonate 157.94
    cyrene 189.44
    2-ethoxyethyl acetate 189.17
    2-ethylhexyl acetate 137.22
    1,2,4-trichlorobenzene 147.68
    4-methylpyridine 278.53
    dibutyl ether 81.78
    2,6-dimethyl-4-heptanol 57.61
    DEF 252.65
    dimethyl isosorbide 266.78
    tetrachloroethylene 263.51
    eugenol 153.79
    triacetin 162.73
    span 80 170.33
    1,4-butanediol 154.83
    1,1-dichloroethane 293.12
    2-methyl-1-pentanol 274.61
    methyl formate 134.73
    2-methyl-1-butanol 278.66
    n-decane 6.58
    butyronitrile 221.71
    3,7-dimethyl-1-octanol 97.75
    1-chlorooctane 41.37
    1-chlorotetradecane 15.89
    n-nonane 5.55
    undecane 4.85
    tert-butylcyclohexane 11.96
    cyclooctane 4.12
    cyclopentanol 300.77
    tetrahydropyran 484.79
    tert-amyl methyl ether 184.97
    2,5,8-trioxanonane 304.2
    1-hexene 81.49
    2-isopropoxyethanol 273.54
    2,2,2-trifluoroethanol 77.03
    methyl butyrate 205.32

    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