(-)-Dimenthyl succinate

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  • Identifiers

    CAS number
    96149-05-2

    Molecular formula
    C24H42O4

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

    Safety labels

  • Odor profile

    Fragrance
    Mint 73.12%
    Herbal 66.76%
    Cooling 57.8%
    Fruity 44.97%
    Balsamic 38.54%
    Fresh 37.51%
    Odorless 34.59%
    Woody 32.24%
    Pine 31.03%
    Sweet 27.62%

     

    Flavor
    Fruity 38.87%
    Herbal 28.61%
    Bitter 26.62%
    Tropical 23.15%
    Minty 22.36%
    Mild 22.15%
    Fruit 21.89%
    Cedarleaf 21.48%
    Odorless 20.86%
    Oily 20.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    6.41 (neutral)

    Molecular weight
    394.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    404°C

    Flash point

    • 166.2 ˚C est.

  • Synonyms

    • (1S)-(+)-Dimenthyl succinate
    • (-)-Dimenthyl succinate
    • 96149-05-2
    • Succinic acid, di-(-)-menthyl ester
    • di-menthyl succinate
    • SCHEMBL79841
    • 115936-72-6
    • AKOS024386555
    • DB-048586
    • DB-057625
    • ST51038158
    • bis(2-isopropyl-5-methyl-cyclohexyl) butanedioate
    • di5-methyl-2-(methylethyl)cyclohexyl butane-1,4-dioate
    • 96149-05-2

  • Applications

    (-)-Dimenthyl succinate, CAS 96149-05-2, is the di-menthyl ester of succinic acid and is used primarily as a chiral intermediate and building block in chemical synthesis; in industrial practice, it may serve as a precursor for pharmaceutical and agrochemical synthesis, as a fragrance ingredient precursor and fixative for perfumery and cosmetics, as a feedstock for biodegradable polymers and polyesters such as polybutylene succinate, as a solvent or co-solvent in chemical reactions, and as a processing aid or additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.84
    methanol 20.87
    isopropanol 29.67
    water 0.16
    ethyl acetate 147.95
    n-propanol 42.67
    acetone 110.85
    n-butanol 43.12
    acetonitrile 43.67
    DMF 100.76
    toluene 159.74
    isobutanol 40.18
    1,4-dioxane 211.49
    methyl acetate 113.81
    THF 578.18
    2-butanone 155.47
    n-pentanol 50.68
    sec-butanol 49.61
    n-hexane 14.97
    ethylene glycol 1.63
    NMP 358.34
    cyclohexane 34.3
    DMSO 96.16
    n-butyl acetate 153.55
    n-octanol 48.58
    chloroform 650.28
    n-propyl acetate 146.48
    acetic acid 81.5
    dichloromethane 609.83
    cyclohexanone 392.17
    propylene glycol 5.6
    isopropyl acetate 128.28
    DMAc 266.31
    2-ethoxyethanol 82.26
    isopentanol 49.34
    n-heptane 8.99
    ethyl formate 57.25
    1,2-dichloroethane 307.38
    n-hexanol 50.33
    2-methoxyethanol 60.0
    isobutyl acetate 117.1
    tetrachloromethane 111.59
    n-pentyl acetate 203.48
    transcutol 379.2
    n-heptanol 54.1
    ethylbenzene 88.93
    MIBK 103.39
    2-propoxyethanol 114.21
    tert-butanol 43.72
    MTBE 89.42
    2-butoxyethanol 123.36
    propionic acid 66.83
    o-xylene 107.81
    formic acid 13.54
    diethyl ether 91.1
    m-xylene 99.17
    p-xylene 133.51
    chlorobenzene 235.46
    dimethyl carbonate 42.91
    n-octane 5.61
    formamide 26.6
    cyclopentanone 415.09
    2-pentanone 135.63
    anisole 133.74
    cyclopentyl methyl ether 236.21
    gamma-butyrolactone 422.1
    1-methoxy-2-propanol 70.58
    pyridine 273.29
    3-pentanone 133.35
    furfural 272.48
    n-dodecane 3.69
    diethylene glycol 40.34
    diisopropyl ether 41.43
    tert-amyl alcohol 64.07
    acetylacetone 179.82
    n-hexadecane 4.49
    acetophenone 171.95
    methyl propionate 111.89
    isopentyl acetate 155.99
    trichloroethylene 611.76
    n-nonanol 52.82
    cyclohexanol 98.19
    benzyl alcohol 92.09
    2-ethylhexanol 51.63
    isooctanol 51.87
    dipropyl ether 72.86
    1,2-dichlorobenzene 236.58
    ethyl lactate 55.35
    propylene carbonate 226.67
    n-methylformamide 42.43
    2-pentanol 39.3
    n-pentane 9.12
    1-propoxy-2-propanol 101.45
    1-methoxy-2-propyl acetate 157.36
    2-(2-methoxypropoxy) propanol 119.07
    mesitylene 63.86
    ε-caprolactone 374.85
    p-cymene 53.31
    epichlorohydrin 435.08
    1,1,1-trichloroethane 338.83
    2-aminoethanol 9.37
    morpholine-4-carbaldehyde 260.05
    sulfolane 453.11
    2,2,4-trimethylpentane 9.79
    2-methyltetrahydrofuran 370.15
    n-hexyl acetate 192.78
    isooctane 5.62
    2-(2-butoxyethoxy)ethanol 157.93
    sec-butyl acetate 120.11
    tert-butyl acetate 142.4
    decalin 22.85
    glycerin 9.84
    diglyme 291.96
    acrylic acid 50.95
    isopropyl myristate 61.15
    n-butyric acid 118.54
    acetyl acetate 119.4
    di(2-ethylhexyl) phthalate 75.96
    ethyl propionate 117.7
    nitromethane 137.1
    1,2-diethoxyethane 169.01
    benzonitrile 119.87
    trioctyl phosphate 45.86
    1-bromopropane 167.38
    gamma-valerolactone 470.55
    n-decanol 34.47
    triethyl phosphate 73.86
    4-methyl-2-pentanol 31.95
    propionitrile 50.39
    vinylene carbonate 173.08
    1,1,2-trichlorotrifluoroethane 195.52
    DMS 124.31
    cumene 61.65
    2-octanol 44.43
    2-hexanone 142.42
    octyl acetate 83.51
    limonene 71.76
    1,2-dimethoxyethane 157.27
    ethyl orthosilicate 74.92
    tributyl phosphate 58.79
    diacetone alcohol 112.82
    N,N-dimethylaniline 100.45
    acrylonitrile 53.07
    aniline 116.31
    1,3-propanediol 22.94
    bromobenzene 281.64
    dibromomethane 376.58
    1,1,2,2-tetrachloroethane 504.25
    2-methyl-cyclohexyl acetate 144.07
    tetrabutyl urea 77.5
    diisobutyl methanol 31.17
    2-phenylethanol 97.47
    styrene 101.47
    dioctyl adipate 108.71
    dimethyl sulfate 85.47
    ethyl butyrate 122.23
    methyl lactate 40.1
    butyl lactate 118.22
    diethyl carbonate 78.82
    propanediol butyl ether 80.73
    triethyl orthoformate 100.23
    p-tert-butyltoluene 48.68
    methyl 4-tert-butylbenzoate 157.54
    morpholine 245.3
    tert-butylamine 31.88
    n-dodecanol 23.23
    dimethoxymethane 86.64
    ethylene carbonate 155.36
    cyrene 146.2
    2-ethoxyethyl acetate 233.34
    2-ethylhexyl acetate 144.32
    1,2,4-trichlorobenzene 301.8
    4-methylpyridine 269.22
    dibutyl ether 77.79
    2,6-dimethyl-4-heptanol 31.17
    DEF 146.06
    dimethyl isosorbide 289.4
    tetrachloroethylene 324.62
    eugenol 131.92
    triacetin 194.99
    span 80 111.51
    1,4-butanediol 14.4
    1,1-dichloroethane 272.13
    2-methyl-1-pentanol 59.81
    methyl formate 34.69
    2-methyl-1-butanol 52.54
    n-decane 8.17
    butyronitrile 56.63
    3,7-dimethyl-1-octanol 52.11
    1-chlorooctane 47.68
    1-chlorotetradecane 14.71
    n-nonane 7.15
    undecane 5.19
    tert-butylcyclohexane 16.83
    cyclooctane 11.55
    cyclopentanol 109.78
    tetrahydropyran 290.97
    tert-amyl methyl ether 93.33
    2,5,8-trioxanonane 177.85
    1-hexene 50.84
    2-isopropoxyethanol 82.95
    2,2,2-trifluoroethanol 41.23
    methyl butyrate 157.7

    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