Dimethyl Succinate

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  • Identifiers

    CAS number
    106-65-0

    Molecular formula
    C6H10O4

    SMILES
    COC(=O)CCC(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.8%
    Green 71.3%
    Winey 66.94%
    Ethereal 63.01%
    Apple 59.37%
    Sweet 58.9%
    Rummy 48.3%
    Floral 39.25%
    Pineapple 37.93%
    Caramellic 37.43%

     

    Flavor
    Fruity 91.98%
    Sweet 65.51%
    Green 58.86%
    Floral 56.52%
    Apple 51.27%
    Pineapple 42.86%
    Berry 36.71%
    Tropical 35.16%
    Grape 34.89%
    Fruit 34.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.1 (neutral)

    Molecular weight
    146.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 67.1 °F (NTP, 1992)
    • 19.5 °C
    • 19 °C
    • 67.1 °F

    Boiling point

    • 385.5 °F at 760 mmHg (NTP, 1992)
    • 195.3 °C @ 760 MM HG
    • 195.00 to 197.00 °C. @ 760.00 mm Hg
    • 385.5 °F

    Flash point

    • 70.83 ˚C est.
    • 185 °F (NTP, 1992)
    • 85.0 °F
    • 185 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
    • SOL IN 120 PARTS WATER, 35 PARTS ALC
    • Slightly soluble in water, soluble in acetone, ethanol, very soluble in ethyl ether
    • 25000 mg/L @ 20 °C (exp)
    • slightly soluble to soluble in water; slightly soluble in alcohol; miscible in oils
    • 1 mL in 1 mL 95% alcohol (in ethanol)

  • Synonyms

    • DIMETHYL SUCCINATE
    • 106-65-0
    • Dimethyl butanedioate
    • Dimethylsuccinate
    • Methyl succinate
    • Butanedioic acid, dimethyl ester
    • Succinic acid, dimethyl ester
    • Succinic acid dimethyl ester
    • DBE-4 dibasic ester
    • Methyl butanedioate
    • FEMA No. 2396
    • CCRIS 4803
    • HSDB 5370
    • 1,4-dimethyl butanedioate
    • EINECS 203-419-9
    • DBE-4
    • NSC 52209
    • Butanedioic acid, 1,4-dimethyl ester
    • Dimethyl ester of succinic acid
    • DTXSID5025152
    • UNII-914I2127JR
    • AI3-02480
    • CH3OC(O)CH2CH2C(O)OCH3
    • NSC-52209
    • 914I2127JR
    • DTXCID005152
    • DIMETHYL SUCCINATE [FCC]
    • DIMETHYL SUCCINATE [FHFI]
    • DIMETHYL SUCCINATE [HSDB]
    • EC 203-419-9
    • SUCCINIC ACID DIMETHYL ESTER [MI]
    • CAS-106-65-0
    • Succinic acid-dimethyl ester
    • MFCD00008466
    • dimethyl 1,4-butanedioate
    • DBE 4
    • SCHEMBL10213
    • MLS002454400
    • butanedioic acid dimethyl ester
    • DBE-4 dibasic ester, 98%
    • CHEMBL556489
    • Dimethyl succinate, 98%, FG
    • FEMA 2396
    • DIMETHYL SUCCINATE [INCI]
    • CHEBI:165393
    • HMS2270G19
    • HY-Y0808
    • NSC52209
    • Tox21_202189
    • Tox21_300350
    • STL481902
    • AKOS000269071
    • Dimethyl succinate, analytical standard
    • NCGC00091530-01
    • NCGC00091530-02
    • NCGC00091530-03
    • NCGC00254517-01
    • NCGC00259738-01
    • LS-13155
    • SMR001253742
    • DB-059497
    • CS-0015787
    • Dimethyl succinate, purum, >=98.0% (GC)
    • NS00007584
    • EN300-113007
    • Dimethyl succinate, Vetec(TM) reagent grade, 98%
    • doi:10.14272/MUXOBHXGJLMRAB-UHFFFAOYSA-N.1
    • Q27271375
    • F1905-7126
    • 203-419-9

  • Applications

    Dimethyl succinate (DMS, CAS 106-65-0) is the dimethyl ester of succinic acid and a highly versatile intermediate used across polymer, pharmaceutical, flavour-fragrance and agrochemical industries; it copolymerises with 1,4-butanediol to give environmentally friendly polybutylene succinate (PBS) for biodegradable films, fibres and 3-D printing feedstock, can be hydrogenated to γ-butyrolactone, 1,4-butanediol or 2-pyrrolidone that serve as key solvents and building blocks for drugs and pesticides, functions as plasticiser, flexibiliser and dispersant in alkyd resins, polyester coatings, adhesives, inks and electroplating baths, and is also an FDA/EFSA-approved flavour ingredient whose mild fruity odour makes it valuable in food, cosmetics, deodorants and scented candles; in the laboratory it acts as a medium-polarity solvent, a succinylating reagent and a calibration standard, while its moderate boiling point, low corrosivity and low toxicity facilitate extraction, vacuum drying and large-scale organic transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.36
    methanol 146.2
    isopropanol 67.2
    water 10.99
    ethyl acetate 200.88
    n-propanol 55.04
    acetone 301.31
    n-butanol 43.93
    acetonitrile 365.63
    DMF 638.39
    toluene 98.59
    isobutanol 48.01
    1,4-dioxane 377.23
    methyl acetate 302.86
    THF 409.89
    2-butanone 217.4
    n-pentanol 31.68
    sec-butanol 59.36
    n-hexane 10.84
    ethylene glycol 20.23
    NMP 1206.48
    cyclohexane 17.92
    DMSO 604.32
    n-butyl acetate 51.48
    n-octanol 17.29
    chloroform 448.14
    n-propyl acetate 85.73
    acetic acid 263.61
    dichloromethane 560.71
    cyclohexanone 254.92
    propylene glycol 12.5
    isopropyl acetate 101.32
    DMAc 959.07
    2-ethoxyethanol 115.62
    isopentanol 49.43
    n-heptane 5.41
    ethyl formate 157.12
    1,2-dichloroethane 296.39
    n-hexanol 17.67
    2-methoxyethanol 213.39
    isobutyl acetate 41.61
    tetrachloromethane 83.74
    n-pentyl acetate 38.94
    transcutol 231.07
    n-heptanol 14.17
    ethylbenzene 52.64
    MIBK 60.24
    2-propoxyethanol 67.55
    tert-butanol 121.73
    MTBE 157.38
    2-butoxyethanol 48.43
    propionic acid 113.96
    o-xylene 90.84
    formic acid 206.47
    diethyl ether 132.53
    m-xylene 50.55
    p-xylene 86.1
    chlorobenzene 136.78
    dimethyl carbonate 139.07
    n-octane 3.15
    formamide 524.25
    cyclopentanone 391.64
    2-pentanone 111.81
    anisole 166.07
    cyclopentyl methyl ether 168.92
    gamma-butyrolactone 617.81
    1-methoxy-2-propanol 112.08
    pyridine 385.71
    3-pentanone 131.72
    furfural 696.77
    n-dodecane 2.61
    diethylene glycol 59.08
    diisopropyl ether 35.2
    tert-amyl alcohol 109.57
    acetylacetone 213.33
    n-hexadecane 3.02
    acetophenone 186.27
    methyl propionate 175.61
    isopentyl acetate 49.36
    trichloroethylene 637.1
    n-nonanol 17.37
    cyclohexanol 60.78
    benzyl alcohol 83.33
    2-ethylhexanol 15.99
    isooctanol 14.12
    dipropyl ether 40.25
    1,2-dichlorobenzene 164.74
    ethyl lactate 38.55
    propylene carbonate 249.48
    n-methylformamide 318.47
    2-pentanol 33.19
    n-pentane 9.59
    1-propoxy-2-propanol 39.75
    1-methoxy-2-propyl acetate 78.12
    2-(2-methoxypropoxy) propanol 79.38
    mesitylene 31.12
    ε-caprolactone 250.84
    p-cymene 22.61
    epichlorohydrin 566.93
    1,1,1-trichloroethane 298.57
    2-aminoethanol 43.23
    morpholine-4-carbaldehyde 681.83
    sulfolane 686.13
    2,2,4-trimethylpentane 8.62
    2-methyltetrahydrofuran 327.34
    n-hexyl acetate 54.07
    isooctane 3.3
    2-(2-butoxyethoxy)ethanol 76.34
    sec-butyl acetate 62.76
    tert-butyl acetate 111.58
    decalin 12.46
    glycerin 35.24
    diglyme 258.76
    acrylic acid 140.12
    isopropyl myristate 23.8
    n-butyric acid 107.13
    acetyl acetate 203.34
    di(2-ethylhexyl) phthalate 29.01
    ethyl propionate 108.67
    nitromethane 1019.34
    1,2-diethoxyethane 86.89
    benzonitrile 153.82
    trioctyl phosphate 13.51
    1-bromopropane 109.73
    gamma-valerolactone 601.82
    n-decanol 12.42
    triethyl phosphate 61.09
    4-methyl-2-pentanol 21.56
    propionitrile 147.25
    vinylene carbonate 250.58
    1,1,2-trichlorotrifluoroethane 341.73
    DMS 108.55
    cumene 36.63
    2-octanol 11.88
    2-hexanone 77.58
    octyl acetate 28.44
    limonene 29.4
    1,2-dimethoxyethane 323.92
    ethyl orthosilicate 52.59
    tributyl phosphate 22.96
    diacetone alcohol 95.48
    N,N-dimethylaniline 134.06
    acrylonitrile 246.1
    aniline 128.73
    1,3-propanediol 57.98
    bromobenzene 141.93
    dibromomethane 262.93
    1,1,2,2-tetrachloroethane 434.53
    2-methyl-cyclohexyl acetate 59.22
    tetrabutyl urea 37.95
    diisobutyl methanol 13.39
    2-phenylethanol 44.94
    styrene 67.8
    dioctyl adipate 45.87
    dimethyl sulfate 335.42
    ethyl butyrate 66.2
    methyl lactate 67.96
    butyl lactate 26.31
    diethyl carbonate 64.71
    propanediol butyl ether 30.82
    triethyl orthoformate 55.08
    p-tert-butyltoluene 19.78
    methyl 4-tert-butylbenzoate 94.68
    morpholine 357.91
    tert-butylamine 77.32
    n-dodecanol 9.55
    dimethoxymethane 254.38
    ethylene carbonate 179.43
    cyrene 115.17
    2-ethoxyethyl acetate 78.04
    2-ethylhexyl acetate 42.92
    1,2,4-trichlorobenzene 231.52
    4-methylpyridine 380.63
    dibutyl ether 34.13
    2,6-dimethyl-4-heptanol 13.39
    DEF 286.72
    dimethyl isosorbide 196.69
    tetrachloroethylene 317.24
    eugenol 77.82
    triacetin 104.9
    span 80 40.05
    1,4-butanediol 21.32
    1,1-dichloroethane 248.22
    2-methyl-1-pentanol 38.16
    methyl formate 261.68
    2-methyl-1-butanol 48.45
    n-decane 4.57
    butyronitrile 96.55
    3,7-dimethyl-1-octanol 19.59
    1-chlorooctane 16.45
    1-chlorotetradecane 7.43
    n-nonane 4.11
    undecane 3.29
    tert-butylcyclohexane 9.94
    cyclooctane 6.11
    cyclopentanol 84.95
    tetrahydropyran 188.41
    tert-amyl methyl ether 124.36
    2,5,8-trioxanonane 171.81
    1-hexene 28.48
    2-isopropoxyethanol 74.03
    2,2,2-trifluoroethanol 195.02
    methyl butyrate 133.01

    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