Dimenthyl glutarate

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  • Identifiers

    CAS number
    406179-71-3

    Molecular formula
    C25H44O4

    SMILES
    CC1CCC(C(C1)OC(=O)CCCC(=O)OC2CC(CCC2C(C)C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 72.26%
    Herbal 65.61%
    Cooling 56.02%
    Fruity 50.0%
    Balsamic 36.16%
    Fresh 34.57%
    Odorless 31.41%
    Sweet 31.37%
    Woody 29.86%
    Pine 29.41%

     

    Flavor
    Fruity 44.18%
    Herbal 28.61%
    Tropical 28.42%
    Bitter 24.18%
    Minty 24.14%
    Fruit 23.49%
    Mild 23.13%
    Oily 22.54%
    Cedarleaf 21.64%
    Green 21.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    6.31 (neutral)

    Molecular weight
    408.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    413°C

    Flash point

    • 172.48 ˚C est.

    Solubility expt.

    • Practically insoluble to Insoluble
    • Very slightly soluble (in ethanol)

  • Synonyms

    • dimenthyl glutarate
    • DTXSID901019988
    • 406179-71-3
    • RefChem:587996
    • DTXCID701477845
    • Pentanedioic acid,1-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester
    • bis(5-methyl-2-propan-2-ylcyclohexyl) pentanedioate
    • Glutaric acid, di-(-)-menthyl ester
    • SCHEMBL121174
    • bis[5-methyl-2-(propan-2-yl)cyclohexyl] pentanedioate
    • NS00122382
    • Bis(2-isopropyl-5-methylcyclohexyl) pentanedioate #
    • 406179-71-3

  • Applications

    Dimenthyl glutarate (CAS 406179-71-3) is a diester primarily used as an industrial intermediate and processing solvent. It is used as a building block for the synthesis of specialty polyesters and polyurethane polyols; used as a reactive diluent or solvent in coating, ink, and adhesive formulations; used as a plasticizer or co-plasticizer to increase flexibility in certain polymer systems; and serves as a processing aid or solvent in industrial manufacturing and cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.09
    methanol 44.71
    isopropanol 43.46
    water 0.55
    ethyl acetate 141.29
    n-propanol 67.74
    acetone 151.8
    n-butanol 65.22
    acetonitrile 49.05
    DMF 134.55
    toluene 173.67
    isobutanol 63.11
    1,4-dioxane 259.1
    methyl acetate 107.89
    THF 664.04
    2-butanone 173.4
    n-pentanol 68.7
    sec-butanol 68.14
    n-hexane 20.12
    ethylene glycol 3.56
    NMP 507.22
    cyclohexane 47.48
    DMSO 135.02
    n-butyl acetate 152.02
    n-octanol 66.72
    chloroform 681.48
    n-propyl acetate 147.8
    acetic acid 153.3
    dichloromethane 623.39
    cyclohexanone 491.83
    propylene glycol 12.52
    isopropyl acetate 125.64
    DMAc 277.22
    2-ethoxyethanol 94.27
    isopentanol 67.13
    n-heptane 13.05
    ethyl formate 73.34
    1,2-dichloroethane 310.31
    n-hexanol 63.75
    2-methoxyethanol 87.71
    isobutyl acetate 123.16
    tetrachloromethane 117.98
    n-pentyl acetate 243.83
    transcutol 434.81
    n-heptanol 74.73
    ethylbenzene 90.77
    MIBK 122.65
    2-propoxyethanol 133.1
    tert-butanol 57.55
    MTBE 86.46
    2-butoxyethanol 150.5
    propionic acid 110.85
    o-xylene 120.11
    formic acid 32.47
    diethyl ether 100.59
    m-xylene 115.7
    p-xylene 137.04
    chlorobenzene 257.21
    dimethyl carbonate 46.74
    n-octane 7.35
    formamide 50.04
    cyclopentanone 500.48
    2-pentanone 158.83
    anisole 125.58
    cyclopentyl methyl ether 292.04
    gamma-butyrolactone 512.4
    1-methoxy-2-propanol 97.45
    pyridine 323.72
    3-pentanone 152.3
    furfural 351.18
    n-dodecane 4.65
    diethylene glycol 51.04
    diisopropyl ether 44.92
    tert-amyl alcohol 79.72
    acetylacetone 201.76
    n-hexadecane 5.61
    acetophenone 173.97
    methyl propionate 122.13
    isopentyl acetate 146.2
    trichloroethylene 642.59
    n-nonanol 69.52
    cyclohexanol 157.54
    benzyl alcohol 108.87
    2-ethylhexanol 58.29
    isooctanol 69.14
    dipropyl ether 82.92
    1,2-dichlorobenzene 241.5
    ethyl lactate 61.77
    propylene carbonate 261.97
    n-methylformamide 65.6
    2-pentanol 54.16
    n-pentane 13.75
    1-propoxy-2-propanol 120.13
    1-methoxy-2-propyl acetate 159.62
    2-(2-methoxypropoxy) propanol 132.27
    mesitylene 76.06
    ε-caprolactone 462.4
    p-cymene 57.23
    epichlorohydrin 479.88
    1,1,1-trichloroethane 318.96
    2-aminoethanol 18.74
    morpholine-4-carbaldehyde 327.83
    sulfolane 621.22
    2,2,4-trimethylpentane 12.34
    2-methyltetrahydrofuran 407.94
    n-hexyl acetate 239.93
    isooctane 7.0
    2-(2-butoxyethoxy)ethanol 179.77
    sec-butyl acetate 113.32
    tert-butyl acetate 146.99
    decalin 26.28
    glycerin 20.44
    diglyme 322.28
    acrylic acid 91.95
    isopropyl myristate 72.43
    n-butyric acid 166.7
    acetyl acetate 114.51
    di(2-ethylhexyl) phthalate 94.42
    ethyl propionate 121.94
    nitromethane 188.72
    1,2-diethoxyethane 170.39
    benzonitrile 129.61
    trioctyl phosphate 60.79
    1-bromopropane 169.22
    gamma-valerolactone 630.38
    n-decanol 43.36
    triethyl phosphate 75.16
    4-methyl-2-pentanol 40.54
    propionitrile 60.47
    vinylene carbonate 214.89
    1,1,2-trichlorotrifluoroethane 270.33
    DMS 142.34
    cumene 62.73
    2-octanol 59.74
    2-hexanone 151.55
    octyl acetate 101.98
    limonene 80.65
    1,2-dimethoxyethane 159.07
    ethyl orthosilicate 75.37
    tributyl phosphate 69.48
    diacetone alcohol 130.59
    N,N-dimethylaniline 95.18
    acrylonitrile 65.09
    aniline 144.63
    1,3-propanediol 38.79
    bromobenzene 289.23
    dibromomethane 394.83
    1,1,2,2-tetrachloroethane 503.29
    2-methyl-cyclohexyl acetate 150.39
    tetrabutyl urea 92.04
    diisobutyl methanol 35.08
    2-phenylethanol 108.83
    styrene 97.89
    dioctyl adipate 126.72
    dimethyl sulfate 101.74
    ethyl butyrate 126.53
    methyl lactate 53.01
    butyl lactate 142.24
    diethyl carbonate 78.45
    propanediol butyl ether 111.07
    triethyl orthoformate 100.64
    p-tert-butyltoluene 52.58
    methyl 4-tert-butylbenzoate 192.87
    morpholine 294.15
    tert-butylamine 41.0
    n-dodecanol 28.85
    dimethoxymethane 108.49
    ethylene carbonate 181.51
    cyrene 169.94
    2-ethoxyethyl acetate 262.6
    2-ethylhexyl acetate 135.24
    1,2,4-trichlorobenzene 311.64
    4-methylpyridine 293.88
    dibutyl ether 90.68
    2,6-dimethyl-4-heptanol 35.08
    DEF 166.38
    dimethyl isosorbide 298.75
    tetrachloroethylene 363.24
    eugenol 146.36
    triacetin 250.67
    span 80 149.41
    1,4-butanediol 22.45
    1,1-dichloroethane 265.25
    2-methyl-1-pentanol 74.49
    methyl formate 52.91
    2-methyl-1-butanol 75.17
    n-decane 10.6
    butyronitrile 69.36
    3,7-dimethyl-1-octanol 59.06
    1-chlorooctane 57.19
    1-chlorotetradecane 17.34
    n-nonane 9.59
    undecane 6.62
    tert-butylcyclohexane 20.02
    cyclooctane 16.77
    cyclopentanol 168.92
    tetrahydropyran 352.01
    tert-amyl methyl ether 92.62
    2,5,8-trioxanonane 204.27
    1-hexene 58.47
    2-isopropoxyethanol 93.03
    2,2,2-trifluoroethanol 69.57
    methyl butyrate 153.17

    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