Dimethyl Adipate

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  • Identifiers

    CAS number
    627-93-0

    Molecular formula
    C8H14O4

    SMILES
    COC(=O)CCCCC(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.06%
    Winey 61.11%
    Sweet 52.46%
    Ethereal 50.32%
    Apple 46.31%
    Green 43.03%
    Pineapple 39.02%
    Oily 36.72%
    Tropical 33.62%
    Fermented 32.47%

     

    Flavor
    Fruity 91.85%
    Sweet 67.74%
    Pineapple 60.25%
    Apple 53.52%
    Green 53.46%
    Floral 46.18%
    Fruit 43.7%
    Tropical 42.67%
    Berry 41.93%
    Grape 39.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.62 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 46.4 °F (USCG, 1999)
    • 10.3 °C
    • 8 °C
    • 46.4 °F

    Boiling point

    • 228.2 to 230 °F at 14 mmHg (USCG, 1999)
    • 115 °C @ 13 mm Hg
    • 109.00 to 110.00 °C. @ 14.00 mm Hg
    • 228.2-230 °F at 14 mmHg

    Flash point

    • 105.16 ˚C est.
    • 225 °F (USCG, 1999)
    • 107 °C
    • 225 °F

    Solubility expt.

    • Sol in alc, ether, acetic acid
    • In water, 600 mg/l, temp not specified.
    • Insoluble
    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Dimethyl adipate
    • 627-93-0
    • Dimethyl hexanedioate
    • Dimethyladipate
    • HEXANEDIOIC ACID, DIMETHYL ESTER
    • Adipic acid dimethyl ester
    • Adipic acid, dimethyl ester
    • 1,6-Dimethylhexanedioate
    • Methyl adipate (VAN)
    • 1,6-dimethyl hexanedioate
    • DBE 6
    • HSDB 5021
    • adipinic acid dimethyl ester
    • EINECS 211-020-6
    • UNII-BY71RX0R62
    • MFCD00008469
    • NSC 11213
    • hexanedioic acid dimethyl ester
    • BRN 1707443
    • BY71RX0R62
    • DTXSID8025096
    • AI3-00668
    • NSC-11213
    • DiMethyl Hexanedioate--d4
    • Hexanedioic acid, 1,6-dimethyl ester
    • DTXCID605096
    • FEMA NO. 4472
    • CHEBI:34715
    • Dimethyl ester of hexanedioic acid
    • EC 211-020-6
    • 4-02-00-01959 (Beilstein Handbook Reference)
    • HEXANEDIOIC ACID, DIMETHYL ESTER [HSDB]
    • CAS-627-93-0
    • Adipic acid-dimethyl ester
    • 1,6Dimethylhexanedioate
    • Dimethyl adipate, 98%
    • Dimethyl adipate; >99%
    • Dimethyl 1,6-hexanedioate
    • Dimethyl adipate, >=99%
    • SCHEMBL14975
    • MLS001065612
    • BIDD:ER0590
    • DIMETHYL ADIPATE [INCI]
    • CHEMBL1566491
    • HMS3039K04
    • NSC11213
    • Tox21_201912
    • Tox21_300363
    • BBL011467
    • STL146579
    • AKOS000120030
    • HY-W015301
    • NCGC00091471-01
    • NCGC00091471-02
    • NCGC00091471-03
    • NCGC00091471-04
    • NCGC00164433-01
    • NCGC00254458-01
    • NCGC00259461-01
    • SMR000568478
    • A0166
    • NS00004584
    • EN300-19861
    • Q21994864
    • F0001-1687
    • Z104475818
    • HEXANEDIOIC ACID,DIMETHYL ESTER ADIPIC ACID,DIMETHYL ESTER
    • HEXANEDIOIC ACID,DIMETHYL ESTER ADIPIC ACID,DIMETHYL ESTER
    • 211-020-6

  • Applications

    Dimethyl adipate (CAS 627-93-0) is primarily used as a high-boiling solvent and reactive diluent in industrial coatings and inks, and as a formulation solvent in cleaning products; it also serves as an intermediate or monomer for the synthesis of polyesters and polyurethanes, enabling production of specialty resins, crosslinkers, and adhesives; in polymer processing it can function as a processing aid and co-monomer to tailor flow, cure, and performance of plastics and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.12
    methanol 95.92
    isopropanol 62.11
    water 1.32
    ethyl acetate 91.61
    n-propanol 37.85
    acetone 166.31
    n-butanol 34.91
    acetonitrile 144.53
    DMF 291.72
    toluene 39.78
    isobutanol 35.3
    1,4-dioxane 207.43
    methyl acetate 117.83
    THF 195.33
    2-butanone 111.88
    n-pentanol 34.64
    sec-butanol 50.02
    n-hexane 5.7
    ethylene glycol 17.18
    NMP 249.66
    cyclohexane 9.15
    DMSO 395.82
    n-butyl acetate 40.88
    n-octanol 23.25
    chloroform 467.85
    n-propyl acetate 54.55
    acetic acid 199.57
    dichloromethane 401.76
    cyclohexanone 146.73
    propylene glycol 21.64
    isopropyl acetate 49.11
    DMAc 353.68
    2-ethoxyethanol 112.47
    isopentanol 36.79
    n-heptane 2.97
    ethyl formate 90.21
    1,2-dichloroethane 207.74
    n-hexanol 25.28
    2-methoxyethanol 156.28
    isobutyl acetate 28.21
    tetrachloromethane 53.54
    n-pentyl acetate 35.42
    transcutol 163.67
    n-heptanol 16.46
    ethylbenzene 30.3
    MIBK 42.24
    2-propoxyethanol 65.75
    tert-butanol 129.16
    MTBE 83.93
    2-butoxyethanol 41.2
    propionic acid 83.97
    o-xylene 42.82
    formic acid 94.16
    diethyl ether 58.29
    m-xylene 25.66
    p-xylene 51.33
    chlorobenzene 84.41
    dimethyl carbonate 32.83
    n-octane 2.8
    formamide 137.66
    cyclopentanone 178.84
    2-pentanone 65.11
    anisole 76.51
    cyclopentyl methyl ether 61.75
    gamma-butyrolactone 255.37
    1-methoxy-2-propanol 103.3
    pyridine 172.32
    3-pentanone 61.53
    furfural 282.67
    n-dodecane 2.74
    diethylene glycol 63.04
    diisopropyl ether 15.21
    tert-amyl alcohol 99.18
    acetylacetone 111.95
    n-hexadecane 3.17
    acetophenone 87.19
    methyl propionate 69.82
    isopentyl acetate 39.17
    trichloroethylene 448.98
    n-nonanol 22.14
    cyclohexanol 51.53
    benzyl alcohol 73.11
    2-ethylhexanol 18.91
    isooctanol 16.05
    dipropyl ether 20.19
    1,2-dichlorobenzene 93.33
    ethyl lactate 36.48
    propylene carbonate 115.92
    n-methylformamide 142.76
    2-pentanol 27.48
    n-pentane 3.83
    1-propoxy-2-propanol 43.15
    1-methoxy-2-propyl acetate 45.94
    2-(2-methoxypropoxy) propanol 61.1
    mesitylene 18.55
    ε-caprolactone 134.26
    p-cymene 16.27
    epichlorohydrin 247.11
    1,1,1-trichloroethane 196.04
    2-aminoethanol 33.84
    morpholine-4-carbaldehyde 248.51
    sulfolane 316.75
    2,2,4-trimethylpentane 5.12
    2-methyltetrahydrofuran 129.31
    n-hexyl acetate 50.58
    isooctane 2.35
    2-(2-butoxyethoxy)ethanol 68.2
    sec-butyl acetate 34.98
    tert-butyl acetate 60.45
    decalin 7.69
    glycerin 50.78
    diglyme 141.2
    acrylic acid 89.15
    isopropyl myristate 20.63
    n-butyric acid 89.83
    acetyl acetate 70.57
    di(2-ethylhexyl) phthalate 27.98
    ethyl propionate 52.98
    nitromethane 371.78
    1,2-diethoxyethane 58.21
    benzonitrile 97.58
    trioctyl phosphate 16.83
    1-bromopropane 80.64
    gamma-valerolactone 267.47
    n-decanol 16.34
    triethyl phosphate 31.81
    4-methyl-2-pentanol 19.13
    propionitrile 79.08
    vinylene carbonate 123.18
    1,1,2-trichlorotrifluoroethane 230.01
    DMS 48.83
    cumene 22.86
    2-octanol 15.79
    2-hexanone 59.38
    octyl acetate 26.47
    limonene 22.61
    1,2-dimethoxyethane 210.5
    ethyl orthosilicate 29.93
    tributyl phosphate 23.12
    diacetone alcohol 81.13
    N,N-dimethylaniline 61.47
    acrylonitrile 119.9
    aniline 64.21
    1,3-propanediol 56.63
    bromobenzene 85.02
    dibromomethane 228.05
    1,1,2,2-tetrachloroethane 373.91
    2-methyl-cyclohexyl acetate 40.35
    tetrabutyl urea 34.11
    diisobutyl methanol 15.9
    2-phenylethanol 43.02
    styrene 39.75
    dioctyl adipate 34.78
    dimethyl sulfate 85.05
    ethyl butyrate 37.06
    methyl lactate 46.87
    butyl lactate 31.46
    diethyl carbonate 31.63
    propanediol butyl ether 44.04
    triethyl orthoformate 32.0
    p-tert-butyltoluene 16.18
    methyl 4-tert-butylbenzoate 63.63
    morpholine 202.09
    tert-butylamine 62.64
    n-dodecanol 12.84
    dimethoxymethane 104.41
    ethylene carbonate 87.06
    cyrene 81.48
    2-ethoxyethyl acetate 52.76
    2-ethylhexyl acetate 31.33
    1,2,4-trichlorobenzene 114.5
    4-methylpyridine 158.31
    dibutyl ether 29.14
    2,6-dimethyl-4-heptanol 15.9
    DEF 113.65
    dimethyl isosorbide 104.13
    tetrachloroethylene 229.52
    eugenol 62.26
    triacetin 61.2
    span 80 48.57
    1,4-butanediol 28.12
    1,1-dichloroethane 195.09
    2-methyl-1-pentanol 36.81
    methyl formate 115.25
    2-methyl-1-butanol 32.63
    n-decane 4.74
    butyronitrile 70.96
    3,7-dimethyl-1-octanol 25.77
    1-chlorooctane 18.71
    1-chlorotetradecane 8.28
    n-nonane 4.3
    undecane 3.44
    tert-butylcyclohexane 7.12
    cyclooctane 3.11
    cyclopentanol 59.38
    tetrahydropyran 111.43
    tert-amyl methyl ether 64.4
    2,5,8-trioxanonane 108.6
    1-hexene 21.3
    2-isopropoxyethanol 68.88
    2,2,2-trifluoroethanol 89.11
    methyl butyrate 78.8

    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