Diethyl Oxalate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    95-92-1

    Molecular formula
    C6H10O4

    SMILES
    CCOC(=O)C(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 82.56%
    Winey 57.23%
    Caramellic 57.16%
    Herbal 53.5%
    Apple 47.33%
    Sweet 43.68%
    Ethereal 42.38%
    Rummy 35.36%
    Chamomile 32.36%
    Floral 30.96%

    Scent© AI

  • Properties

    XLogP3-AA
    0.6

    Molecular weight
    146.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -38.5 °C

    Boiling point

    • 185.7 °C @ 760 MM HG

    Flash point est.
    61.49 ˚C

    Flash point expt.

    • 168 °F (NFPA, 2010)
    • 168 °F CC

    Solubility expt.

    • SPARINGLY SOL IN WATER WHICH DECOMP IT GRADUALLY; MISCIBLE WITH USUAL ORG SOLVENTS
    • SOL IN ALL PROPORTIONS IN ALCOHOL, ETHER, ACETONE
    • MISCIBLE WITH ETHYL ACETATE

  • Synonyms

    • DIETHYL OXALATE
    • 95-92-1
    • Ethyl oxalate
    • diethyloxalate
    • Ethanedioic acid, diethyl ester
    • Diethyl ethanedioate
    • Oxalic ether
    • Oxalic acid, diethyl ester
    • Oxalic Acid Diethyl Ester
    • Ethyl oxalate (VAN)
    • NSC 8851
    • Diethylester kyseliny stavelove
    • HSDB 2131
    • EINECS 202-464-1
    • UNII-860M3ZWF6J
    • Diethyl ester of oxalic acid
    • MFCD00009119
    • UN2525
    • Diethylester kyseliny stavelove [Czech]
    • BRN 0606350
    • 860M3ZWF6J
    • DTXSID2044472
    • ETHYL OXOLATE
    • NSC-8851
    • C2H5OCOCOOC2H5
    • Ethanedioic acid, 1,2-diethyl ester
    • DIETHYL OXALATE [MI]
    • DIETHYL OXALATE [HSDB]
    • DTXCID0024472
    • EC 202-464-1
    • 4-02-00-01848 (Beilstein Handbook Reference)
    • ETHANEDIOC ACID, DIETHYL ESTER
    • UN 2525
    • diethyl ethane-dioate
    • oxalic acid diethylester
    • 1,2-diethyl ethanedioate
    • Diethyl oxalate, >=99%
    • SCHEMBL7262
    • WLN: 2OVVO2
    • DIETHYL OXALATE [INCI]
    • CHEMBL3183226
    • NSC8851
    • Diethyl oxalate, analytical standard
    • Tox21_302109
    • BBL011413
    • STL146519
    • Ethyl oxalate [for Spectrophotometry]
    • AKOS000120214
    • Ethyl oxalate [UN2525] [Poison]
    • FD03598
    • CAS-95-92-1
    • NCGC00255767-01
    • AS-14315
    • BP-13324
    • Diethyl oxalate, purum, >=99.0% (GC)
    • NS00009607
    • O0078
    • O0120
    • EN300-19207
    • F87445
    • Q904612
    • ETHANEDIOIC ACID,DIETHYL ESTER (DIETHYLOXALATE)
    • 5-pentyl-5-tetrahydropyran-2-yl-imidazolidine-2,4-dione
    • ETHANEDIOIC ACID,DIETHYL ESTER (DIETHYLOXALATE)
    • F1908-0115
    • Z104473164
    • 202-464-1
    • Ethanedioic Acid 1,2-Diethyl Ester; Oxalic Acid Diethyl Ester; Diethyl Ethanedioate; Ethyl Oxalate; NSC 8851

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.54
    methanol 130.04
    isopropanol 56.55
    water 2.2
    ethyl acetate 100.42
    n-propanol 62.8
    acetone 157.41
    n-butanol 61.83
    acetonitrile 134.12
    DMF 454.9
    toluene 64.71
    isobutanol 47.03
    1,4-dioxane 226.37
    methyl acetate 152.22
    THF 194.2
    2-butanone 122.39
    n-pentanol 56.72
    sec-butanol 55.96
    n-hexane 16.55
    ethylene glycol 60.16
    NMP 525.25
    cyclohexane 53.63
    DMSO 315.95
    n-butyl acetate 82.3
    n-octanol 51.28
    chloroform 412.35
    n-propyl acetate 64.01
    acetic acid 194.4
    dichloromethane 411.46
    cyclohexanone 237.66
    propylene glycol 38.2
    isopropyl acetate 53.85
    DMAc 366.97
    2-ethoxyethanol 118.11
    isopentanol 50.4
    n-heptane 14.3
    ethyl formate 136.19
    1,2-dichloroethane 284.75
    n-hexanol 55.4
    2-methoxyethanol 205.99
    isobutyl acetate 33.57
    tetrachloromethane 86.73
    n-pentyl acetate 71.53
    transcutol 195.63
    n-heptanol 40.34
    ethylbenzene 52.15
    MIBK 44.26
    2-propoxyethanol 110.47
    tert-butanol 68.48
    MTBE 62.06
    2-butoxyethanol 87.2
    propionic acid 104.99
    o-xylene 66.68
    formic acid 119.6
    diethyl ether 68.75
    m-xylene 39.78
    p-xylene 69.47
    chlorobenzene 167.76
    dimethyl carbonate 75.86
    n-octane 11.82
    formamide 200.2
    cyclopentanone 211.86
    2-pentanone 79.17
    anisole 88.99
    cyclopentyl methyl ether 88.45
    gamma-butyrolactone 283.13
    1-methoxy-2-propanol 109.24
    pyridine 272.95
    3-pentanone 87.24
    furfural 407.71
    n-dodecane 10.13
    diethylene glycol 119.42
    diisopropyl ether 21.44
    tert-amyl alcohol 68.56
    acetylacetone 116.33
    n-hexadecane 11.59
    acetophenone 116.54
    methyl propionate 109.8
    isopentyl acetate 66.09
    trichloroethylene 555.01
    n-nonanol 46.51
    cyclohexanol 94.67
    benzyl alcohol 103.62
    2-ethylhexanol 43.73
    isooctanol 30.42
    dipropyl ether 39.26
    1,2-dichlorobenzene 203.41
    ethyl lactate 52.54
    propylene carbonate 172.31
    n-methylformamide 225.38
    2-pentanol 38.47
    n-pentane 16.02
    1-propoxy-2-propanol 72.51
    1-methoxy-2-propyl acetate 70.99
    2-(2-methoxypropoxy) propanol 82.49
    mesitylene 33.66
    ε-caprolactone 212.42
    p-cymene 36.53
    epichlorohydrin 273.92
    1,1,1-trichloroethane 204.88
    2-aminoethanol 67.32
    morpholine-4-carbaldehyde 357.53
    sulfolane 366.96
    2,2,4-trimethylpentane 10.42
    2-methyltetrahydrofuran 134.81
    n-hexyl acetate 94.35
    isooctane 5.54
    2-(2-butoxyethoxy)ethanol 105.11
    sec-butyl acetate 37.26
    tert-butyl acetate 53.13
    decalin 23.3
    glycerin 82.9
    diglyme 221.04
    acrylic acid 139.91
    isopropyl myristate 38.4
    n-butyric acid 110.76
    acetyl acetate 85.31
    di(2-ethylhexyl) phthalate 51.38
    ethyl propionate 65.37
    nitromethane 351.19
    1,2-diethoxyethane 81.88
    benzonitrile 158.64
    trioctyl phosphate 38.11
    1-bromopropane 112.7
    gamma-valerolactone 311.08
    n-decanol 35.16
    triethyl phosphate 50.94
    4-methyl-2-pentanol 23.29
    propionitrile 100.87
    vinylene carbonate 203.57
    1,1,2-trichlorotrifluoroethane 289.05
    DMS 103.98
    cumene 37.86
    2-octanol 35.22
    2-hexanone 66.04
    octyl acetate 51.97
    limonene 49.36
    1,2-dimethoxyethane 230.96
    ethyl orthosilicate 46.12
    tributyl phosphate 44.45
    diacetone alcohol 68.83
    N,N-dimethylaniline 80.62
    acrylonitrile 172.41
    aniline 97.11
    1,3-propanediol 93.12
    bromobenzene 161.29
    dibromomethane 256.61
    1,1,2,2-tetrachloroethane 451.12
    2-methyl-cyclohexyl acetate 59.6
    tetrabutyl urea 70.62
    diisobutyl methanol 26.3
    2-phenylethanol 85.86
    styrene 69.66
    dioctyl adipate 60.16
    dimethyl sulfate 130.82
    ethyl butyrate 62.44
    methyl lactate 82.14
    butyl lactate 63.53
    diethyl carbonate 55.8
    propanediol butyl ether 79.64
    triethyl orthoformate 53.53
    p-tert-butyltoluene 34.77
    methyl 4-tert-butylbenzoate 95.37
    morpholine 221.35
    tert-butylamine 42.65
    n-dodecanol 28.22
    dimethoxymethane 161.45
    ethylene carbonate 153.58
    cyrene 95.76
    2-ethoxyethyl acetate 88.33
    2-ethylhexyl acetate 60.37
    1,2,4-trichlorobenzene 233.23
    4-methylpyridine 211.05
    dibutyl ether 52.55
    2,6-dimethyl-4-heptanol 26.3
    DEF 186.91
    dimethyl isosorbide 138.9
    tetrachloroethylene 371.25
    eugenol 109.04
    triacetin 85.84
    span 80 79.34
    1,4-butanediol 52.46
    1,1-dichloroethane 183.24
    2-methyl-1-pentanol 54.59
    methyl formate 194.99
    2-methyl-1-butanol 52.13
    n-decane 15.22
    butyronitrile 91.78
    3,7-dimethyl-1-octanol 40.94
    1-chlorooctane 44.63
    1-chlorotetradecane 23.14
    n-nonane 14.99
    undecane 11.94
    tert-butylcyclohexane 14.61
    cyclooctane 18.57
    cyclopentanol 96.94
    tetrahydropyran 145.63
    tert-amyl methyl ether 60.94
    2,5,8-trioxanonane 153.47
    1-hexene 37.08
    2-isopropoxyethanol 69.96
    2,2,2-trifluoroethanol 94.99
    methyl butyrate 105.73

    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 0.5%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 1.4%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 3.1%