Butanedioic acid, diethyl ester

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  • Identifiers

    CAS number
    123-25-1

    Molecular formula
    C8H14O4

    SMILES
    CCOC(=O)CCC(=O)OCC

    Retention indicies (RI)

    • Carbowax: 1665.5

  • Odor profile

    Fruity 88.03%
    Winey 69.41%
    Green 64.23%
    Apple 62.97%
    Sweet 50.37%
    Ethereal 46.98%
    Oily 37.19%
    Caramellic 36.56%
    Fermented 36.56%
    Pineapple 35.35%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.15 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -21 °C

    Boiling point

    • 217.00 to 218.00 °C. @ 760.00 mm Hg
    • 217 °C

    Flash point est.
    93.73 ˚C

    Flash point expt.

    • 90 °C c.c.

    Solubility expt.

    • 19.1 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.2
    • 1 mL in 50 mL water; miscible in alcohol, ether, oils

  • Synonyms

    • DIETHYL SUCCINATE
    • 123-25-1
    • Diethyl butanedioate
    • Ethyl succinate
    • Butanedioic acid, diethyl ester
    • Succinic acid diethyl ester
    • 1,4-diethyl butanedioate
    • Succinic acid, diethyl ester
    • DIETHYLSUCCINATE
    • Butanedioic acid, 1,4-diethyl ester
    • Diethyl ethanedicarboxylate
    • FEMA No. 2377
    • MFCD00009208
    • Diethylester kyseliny jantarove
    • NSC 8875
    • EINECS 204-612-0
    • ELP55C13DR
    • Diethylester kyseliny jantarove [Czech]
    • BRN 0907645
    • DTXSID2038732
    • AI3-00682
    • NSC-8875
    • DIETHYL SUCCINATE [FCC]
    • DIETHYL SUCCINATE [FHFI]
    • DTXCID0018732
    • Diethyl ester of butanedioic acid
    • 4-02-00-01914 (Beilstein Handbook Reference)
    • UNII-ELP55C13DR
    • Succinic acid-diethyl ester
    • butanedioic acid diethyl ester
    • Diethyl butanoate
    • Diethyl succinate, 98%
    • Diethyl succinate (Standard)
    • SCHEMBL22780
    • WLN: 2OV2VO2
    • CHEMBL369243
    • DIETHYL SUCCINATE [INCI]
    • HY-Y0836R
    • NSC8875
    • CHEBI:169507
    • Butanedioic acid, 1,4diethyl ester
    • HY-Y0836
    • Tox21_300286
    • s6209
    • STL194305
    • Diethyl succinate, analytical standard
    • AKOS000269055
    • DS-7133
    • Diethyl succinate, >=99%, FCC, FG
    • NCGC00247986-01
    • NCGC00253946-01
    • SUCCINIC ACID DIETHYL ESTER [MI]
    • CAS-123-25-1
    • DA-62861
    • Diethyl succinate, natural, >=99%, FG
    • Diethyl succinate, ReagentPlus(R), 99%
    • SY011286
    • CS-0015811
    • NS00012226
    • EN300-18004
    • F70092
    • Diethyl succinate, Vetec(TM) reagent grade, 98%
    • Q1978959
    • Z57127474
    • F0001-0363
    • 204-612-0

  • Applications

    Diethyl succinate (C8H14O4, CAS 123-25-1) is a versatile ester widely employed in the flavor & fragrance, pharmaceutical, agrochemical and polymer sectors: in food technology it imparts a gentle fruity note and smooths the astringency of wines, beers and soft drinks; in cosmetics and perfumery it acts as a low-odor solvent and fixative that enhances aroma longevity; as a synthetic intermediate it undergoes alkylation, acylation and cyclization to give barbiturates, vitamins, β-lactam antibiotics, antidiabetic agents and pesticides; in green chemistry it is a biodegradable solvent replacing halogenated media; in polymer science it serves as a plasticizer and comonomer to tailor the flexibility and biodegradability of polyester or poly(butylene succinate) resins; moreover, microorganisms can bioconvert diethyl succinate into succinic acid, a pivotal platform molecule for renewable chemicals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.1
    methanol 99.29
    isopropanol 45.71
    water 1.72
    ethyl acetate 293.75
    n-propanol 42.52
    acetone 539.75
    n-butanol 35.41
    acetonitrile 493.6
    DMF 1616.15
    toluene 132.64
    isobutanol 36.56
    1,4-dioxane 301.54
    methyl acetate 417.0
    THF 448.8
    2-butanone 363.28
    n-pentanol 35.2
    sec-butanol 49.17
    n-hexane 15.38
    ethylene glycol 25.44
    NMP 2450.33
    cyclohexane 15.06
    DMSO 2189.27
    n-butyl acetate 187.06
    n-octanol 22.3
    chloroform 729.5
    n-propyl acetate 185.13
    acetic acid 378.61
    dichloromethane 1095.83
    cyclohexanone 468.73
    propylene glycol 24.13
    isopropyl acetate 160.06
    DMAc 1934.48
    2-ethoxyethanol 160.91
    isopentanol 41.81
    n-heptane 6.05
    ethyl formate 224.31
    1,2-dichloroethane 687.27
    n-hexanol 26.14
    2-methoxyethanol 237.02
    isobutyl acetate 84.24
    tetrachloromethane 90.31
    n-pentyl acetate 81.92
    transcutol 545.54
    n-heptanol 13.73
    ethylbenzene 103.92
    MIBK 107.37
    2-propoxyethanol 112.76
    tert-butanol 79.11
    MTBE 158.15
    2-butoxyethanol 57.66
    propionic acid 197.46
    o-xylene 136.81
    formic acid 205.25
    diethyl ether 112.76
    m-xylene 80.3
    p-xylene 156.72
    chlorobenzene 373.56
    dimethyl carbonate 234.59
    n-octane 2.62
    formamide 544.85
    cyclopentanone 757.39
    2-pentanone 204.37
    anisole 357.97
    cyclopentyl methyl ether 206.36
    gamma-butyrolactone 1203.11
    1-methoxy-2-propanol 151.51
    pyridine 587.0
    3-pentanone 253.78
    furfural 1512.13
    n-dodecane 2.53
    diethylene glycol 99.58
    diisopropyl ether 39.86
    tert-amyl alcohol 95.06
    acetylacetone 532.42
    n-hexadecane 3.07
    acetophenone 499.35
    methyl propionate 296.05
    isopentyl acetate 159.53
    trichloroethylene 1619.28
    n-nonanol 22.18
    cyclohexanol 57.42
    benzyl alcohol 164.56
    2-ethylhexanol 28.63
    isooctanol 14.0
    dipropyl ether 55.64
    1,2-dichlorobenzene 500.38
    ethyl lactate 95.47
    propylene carbonate 572.84
    n-methylformamide 535.64
    2-pentanol 29.73
    n-pentane 7.77
    1-propoxy-2-propanol 84.07
    1-methoxy-2-propyl acetate 233.24
    2-(2-methoxypropoxy) propanol 168.09
    mesitylene 51.24
    ε-caprolactone 508.53
    p-cymene 49.8
    epichlorohydrin 1013.89
    1,1,1-trichloroethane 496.64
    2-aminoethanol 47.01
    morpholine-4-carbaldehyde 1281.75
    sulfolane 2233.69
    2,2,4-trimethylpentane 10.72
    2-methyltetrahydrofuran 342.13
    n-hexyl acetate 121.58
    isooctane 4.28
    2-(2-butoxyethoxy)ethanol 134.68
    sec-butyl acetate 121.04
    tert-butyl acetate 187.5
    decalin 20.74
    glycerin 61.87
    diglyme 434.17
    acrylic acid 277.65
    isopropyl myristate 49.54
    n-butyric acid 170.33
    acetyl acetate 360.13
    di(2-ethylhexyl) phthalate 68.67
    ethyl propionate 214.83
    nitromethane 1825.99
    1,2-diethoxyethane 174.85
    benzonitrile 360.14
    trioctyl phosphate 32.93
    1-bromopropane 188.94
    gamma-valerolactone 1139.78
    n-decanol 15.81
    triethyl phosphate 135.5
    4-methyl-2-pentanol 21.16
    propionitrile 192.17
    vinylene carbonate 587.19
    1,1,2-trichlorotrifluoroethane 751.14
    DMS 299.73
    cumene 71.17
    2-octanol 12.63
    2-hexanone 170.77
    octyl acetate 60.37
    limonene 67.35
    1,2-dimethoxyethane 501.17
    ethyl orthosilicate 101.36
    tributyl phosphate 70.13
    diacetone alcohol 164.39
    N,N-dimethylaniline 283.32
    acrylonitrile 428.39
    aniline 190.35
    1,3-propanediol 56.03
    bromobenzene 420.75
    dibromomethane 555.16
    1,1,2,2-tetrachloroethane 995.3
    2-methyl-cyclohexyl acetate 146.04
    tetrabutyl urea 108.23
    diisobutyl methanol 21.93
    2-phenylethanol 98.32
    styrene 156.98
    dioctyl adipate 122.21
    dimethyl sulfate 903.98
    ethyl butyrate 163.63
    methyl lactate 147.01
    butyl lactate 80.14
    diethyl carbonate 159.69
    propanediol butyl ether 62.46
    triethyl orthoformate 116.33
    p-tert-butyltoluene 44.05
    methyl 4-tert-butylbenzoate 209.6
    morpholine 321.48
    tert-butylamine 48.62
    n-dodecanol 12.22
    dimethoxymethane 355.55
    ethylene carbonate 357.6
    cyrene 254.45
    2-ethoxyethyl acetate 174.15
    2-ethylhexyl acetate 141.9
    1,2,4-trichlorobenzene 651.2
    4-methylpyridine 686.89
    dibutyl ether 57.62
    2,6-dimethyl-4-heptanol 21.93
    DEF 526.34
    dimethyl isosorbide 467.23
    tetrachloroethylene 554.51
    eugenol 169.37
    triacetin 285.02
    span 80 94.92
    1,4-butanediol 30.07
    1,1-dichloroethane 432.42
    2-methyl-1-pentanol 48.15
    methyl formate 427.11
    2-methyl-1-butanol 44.8
    n-decane 4.34
    butyronitrile 137.22
    3,7-dimethyl-1-octanol 34.41
    1-chlorooctane 26.02
    1-chlorotetradecane 11.35
    n-nonane 3.98
    undecane 3.19
    tert-butylcyclohexane 16.07
    cyclooctane 5.68
    cyclopentanol 82.6
    tetrahydropyran 160.64
    tert-amyl methyl ether 149.99
    2,5,8-trioxanonane 322.34
    1-hexene 46.06
    2-isopropoxyethanol 100.5
    2,2,2-trifluoroethanol 238.87
    methyl butyrate 286.79

    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

Botanical

Name CAS Botanical Proportion
Couroupita guaianensis flower (Malaysia) Couroupita guianensis Auble, fam. Lecythidaceae 0.3%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.3%