monoMethyl adipate

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  • Identifiers

    CAS number
    627-91-8

    Molecular formula
    C7H12O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 63.53%
    Sour 47.77%
    Winey 39.49%
    Cheesy 37.03%
    Buttery 35.72%
    Fatty 34.62%
    Caramellic 33.68%
    Ethereal 29.19%
    Creamy 27.98%
    Dairy 27.15%

     

    Flavor
    Fruity 57.24%
    Cheese 48.34%
    Sweet 39.61%
    Sour 37.36%
    Fatty 34.04%
    Rancid 33.27%
    Butter 32.83%
    Pineapple 32.24%
    Odorless 31.49%
    Acidic 31.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.35 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 144.31 ˚C est.

  • Synonyms

    • Monomethyl adipate
    • 627-91-8
    • 6-Methoxy-6-oxohexanoic acid
    • Adipic acid monomethyl ester
    • Methyl hydrogen adipate
    • Methyl hemiadipate
    • Adipic acid, monomethyl ester
    • Hexanedioic acid, monomethyl ester
    • 5-Carbomethoxypentanoic acid
    • Monomethyl 1,6-hexanedioate
    • Methyl 5-carboxypentanoate
    • Hexanedioic acid, 1-methyl ester
    • NSC 9389
    • Methyl hexanedioate
    • NSC 55113
    • 1-methyl ester Hexanedioic acid
    • DTXSID9044451
    • 62S39VHD01
    • NSC-9389
    • EINECS 211-019-0
    • NSC-55113
    • Adipic acid, monomethyl ester (8CI)
    • AI3-01772
    • DTXCID7024451
    • CHEBI:70855
    • ADIPIC ACID, METHYL ESTER
    • Methyl 5carboxypentanoate
    • RefChem:819329
    • 5Carbomethoxypentanoic acid
    • Monomethyl 1,6hexanedioate
    • Hexanedioic acid, 1methyl ester
    • 211-019-0
    • mono-Methyl adipate
    • Methyl adipate
    • MFCD00004418
    • mono-methyl-adipate
    • 6-methoxy-6-oxo-hexanoic acid
    • Hexanedioic Acid Monomethyl Ester
    • Monomethyladipate
    • UNII-62S39VHD01
    • Monomethyl Hexanedioate
    • mono-Methyl adipate, 99%
    • SCHEMBL194401
    • orb1696029
    • CHEMBL3183809
    • SCHEMBL10682086
    • SCHEMBL11587312
    • 5-(methoxycarbonyl)pentanoic acid
    • NSC9389
    • METHYL ESTER OF ADIPIC ACID
    • NSC55113
    • Tox21_302020
    • SBB065981
    • AKOS015892845
    • CS-W017938
    • GS-3372
    • NCGC00255865-01
    • CAS-627-91-8
    • SY020964
    • DB-054286
    • NS00022569
    • EN300-123789
    • O11605
    • F078720
    • Q27139148
    • Z1255485264
    • 627-91-8

  • Applications

    MonoMethyl adipate (CAS 627-91-8) is primarily used as an intermediate in the synthesis of polyesters and related ester products. In polymer chemistry, it can function as a reactive mono-functional monomer or as a chain-linking unit to tailor polyester and polyurethane systems. It is also used as a specialty solvent or co-solvent in coating formulations, paints, and inks, owing to its polarity and ester functionality. Additionally, monoMethyl adipate can serve as a starting material or building block for the production of more complex adipate esters and customized polymers, and is considered a platform for developing industrial polymer systems with targeted properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 213.2
    methanol 325.02
    isopropanol 153.29
    water 15.54
    ethyl acetate 33.42
    n-propanol 124.52
    acetone 165.23
    n-butanol 90.26
    acetonitrile 73.89
    DMF 695.54
    toluene 8.97
    isobutanol 78.98
    1,4-dioxane 154.84
    methyl acetate 62.71
    THF 172.65
    2-butanone 82.48
    n-pentanol 70.82
    sec-butanol 104.84
    n-hexane 3.0
    ethylene glycol 117.15
    NMP 308.37
    cyclohexane 2.08
    DMSO 789.86
    n-butyl acetate 21.27
    n-octanol 28.26
    chloroform 61.35
    n-propyl acetate 23.94
    acetic acid 257.26
    dichloromethane 66.74
    cyclohexanone 90.43
    propylene glycol 125.68
    isopropyl acetate 19.72
    DMAc 454.82
    2-ethoxyethanol 187.65
    isopentanol 68.15
    n-heptane 1.24
    ethyl formate 75.68
    1,2-dichloroethane 53.92
    n-hexanol 41.73
    2-methoxyethanol 338.83
    isobutyl acetate 12.64
    tetrachloromethane 8.82
    n-pentyl acetate 19.89
    transcutol 206.49
    n-heptanol 21.68
    ethylbenzene 8.68
    MIBK 33.98
    2-propoxyethanol 101.43
    tert-butanol 202.08
    MTBE 55.91
    2-butoxyethanol 56.2
    propionic acid 126.01
    o-xylene 13.62
    formic acid 250.38
    diethyl ether 33.15
    m-xylene 8.93
    p-xylene 12.45
    chlorobenzene 16.79
    dimethyl carbonate 24.06
    n-octane 1.09
    formamide 260.56
    cyclopentanone 125.89
    2-pentanone 51.3
    anisole 39.07
    cyclopentyl methyl ether 38.67
    gamma-butyrolactone 156.09
    1-methoxy-2-propanol 190.07
    pyridine 65.61
    3-pentanone 32.86
    furfural 183.15
    n-dodecane 1.28
    diethylene glycol 137.65
    diisopropyl ether 6.68
    tert-amyl alcohol 141.77
    acetylacetone 65.37
    n-hexadecane 1.43
    acetophenone 44.3
    methyl propionate 44.09
    isopentyl acetate 23.01
    trichloroethylene 85.25
    n-nonanol 24.65
    cyclohexanol 59.52
    benzyl alcohol 55.57
    2-ethylhexanol 19.19
    isooctanol 17.5
    dipropyl ether 10.52
    1,2-dichlorobenzene 22.05
    ethyl lactate 35.05
    propylene carbonate 69.84
    n-methylformamide 288.56
    2-pentanol 47.63
    n-pentane 2.0
    1-propoxy-2-propanol 55.18
    1-methoxy-2-propyl acetate 33.91
    2-(2-methoxypropoxy) propanol 76.01
    mesitylene 6.71
    ε-caprolactone 81.49
    p-cymene 6.86
    epichlorohydrin 144.42
    1,1,1-trichloroethane 28.49
    2-aminoethanol 185.28
    morpholine-4-carbaldehyde 277.37
    sulfolane 264.27
    2,2,4-trimethylpentane 2.31
    2-methyltetrahydrofuran 86.13
    n-hexyl acetate 34.13
    isooctane 1.33
    2-(2-butoxyethoxy)ethanol 94.37
    sec-butyl acetate 13.78
    tert-butyl acetate 33.87
    decalin 2.48
    glycerin 215.28
    diglyme 140.71
    acrylic acid 128.73
    isopropyl myristate 13.63
    n-butyric acid 96.03
    acetyl acetate 22.3
    di(2-ethylhexyl) phthalate 24.78
    ethyl propionate 22.81
    nitromethane 306.02
    1,2-diethoxyethane 34.58
    benzonitrile 41.72
    trioctyl phosphate 15.5
    1-bromopropane 23.83
    gamma-valerolactone 213.78
    n-decanol 18.07
    triethyl phosphate 16.54
    4-methyl-2-pentanol 25.92
    propionitrile 46.02
    vinylene carbonate 70.15
    1,1,2-trichlorotrifluoroethane 170.98
    DMS 27.45
    cumene 8.22
    2-octanol 16.77
    2-hexanone 35.83
    octyl acetate 19.63
    limonene 10.12
    1,2-dimethoxyethane 219.99
    ethyl orthosilicate 14.84
    tributyl phosphate 19.05
    diacetone alcohol 87.38
    N,N-dimethylaniline 35.44
    acrylonitrile 76.55
    aniline 34.37
    1,3-propanediol 193.97
    bromobenzene 12.73
    dibromomethane 39.89
    1,1,2,2-tetrachloroethane 86.22
    2-methyl-cyclohexyl acetate 22.2
    tetrabutyl urea 30.77
    diisobutyl methanol 12.23
    2-phenylethanol 35.15
    styrene 11.1
    dioctyl adipate 24.91
    dimethyl sulfate 76.85
    ethyl butyrate 16.05
    methyl lactate 63.37
    butyl lactate 30.42
    diethyl carbonate 13.26
    propanediol butyl ether 82.11
    triethyl orthoformate 15.03
    p-tert-butyltoluene 7.34
    methyl 4-tert-butylbenzoate 48.25
    morpholine 207.41
    tert-butylamine 75.36
    n-dodecanol 13.29
    dimethoxymethane 132.0
    ethylene carbonate 49.48
    cyrene 84.63
    2-ethoxyethyl acetate 32.71
    2-ethylhexyl acetate 15.26
    1,2,4-trichlorobenzene 28.53
    4-methylpyridine 69.21
    dibutyl ether 15.8
    2,6-dimethyl-4-heptanol 12.23
    DEF 102.55
    dimethyl isosorbide 90.75
    tetrachloroethylene 51.27
    eugenol 54.78
    triacetin 41.46
    span 80 58.3
    1,4-butanediol 92.46
    1,1-dichloroethane 35.48
    2-methyl-1-pentanol 55.6
    methyl formate 176.87
    2-methyl-1-butanol 66.8
    n-decane 2.05
    butyronitrile 46.58
    3,7-dimethyl-1-octanol 25.47
    1-chlorooctane 9.52
    1-chlorotetradecane 3.97
    n-nonane 1.81
    undecane 1.57
    tert-butylcyclohexane 2.61
    cyclooctane 0.88
    cyclopentanol 82.17
    tetrahydropyran 68.81
    tert-amyl methyl ether 44.29
    2,5,8-trioxanonane 119.24
    1-hexene 11.79
    2-isopropoxyethanol 90.54
    2,2,2-trifluoroethanol 99.04
    methyl butyrate 41.79

    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