2,3-Dimethylmaleic anhydride

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  • Identifiers

    CAS number
    766-39-2

    Molecular formula
    C6H6O3

    SMILES
    CC1=C(C(=O)OC1=O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1688.0

  • Odor profile

    Caramellic 73.63%
    Sweet 68.63%
    Burnt 57.68%
    Nutty 38.55%
    Coumarinic 34.57%
    Tobacco 34.31%
    Roasted 33.03%
    Buttery 32.69%
    Sharp 30.08%
    Coffee 28.86%

    Scent© AI

  • Properties

    XLogP3-AA
    0.6

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 96 °C

    Boiling point

    • 223 °C

    Flash point est.
    100.85 ˚C

    Solubility expt.

    • VERY SOL IN ALCOHOL, ETHER, BENZENE, CHLOROFORM; SLIGHTLY SOL IN WATER

  • Synonyms

    • 2,3-DIMETHYLMALEIC ANHYDRIDE
    • 766-39-2
    • 3,4-dimethylfuran-2,5-dione
    • Dimethylmaleic anhydride
    • 2,5-Furandione, 3,4-dimethyl-
    • Pyrocinchonic anhydride
    • Maleic anhydride, dimethyl-
    • Dimethylmaleic acid anhydride
    • NSC 92512
    • 3,4-Dimethyl-2,5-furandione
    • HSDB 5517
    • alpha,beta-Dimethylmaleic anhydride
    • EINECS 212-165-8
    • 6PP3N541QA
    • 3,4-Dimethyl-furan-2,5-dione
    • MFCD00005523
    • NSC-92512
    • DTXSID6061103
    • dimethyl-2,5-dihydrofuran-2,5-dione
    • .alpha.,.beta.-Dimethylmaleic anhydride
    • 2,3-DIMETHYLMALEIC ANHYDRIDE [HSDB]
    • UNII-6PP3N541QA
    • Dimethyl-maleic anhydride;2,3-dimethylmalonic anhydride4,4-Dimethyl-2,5-furandion; Dimethylmaleic acid anhydride; Dimethylmaleic Anhydride; NSC 92512
    • 2, 3,4-dimethyl-
    • dimethyl maleic anhydride
    • 4,5-dimethyl-1,3-dioxa-2-oxo-cyclopentene
    • Maleic anhydride, dimethyl
    • 2,5Furandione, 3,4dimethyl
    • SCHEMBL138955
    • 2,3-dimethyl maleic anhydride
    • 2,3-dimethyl-maleic anhydride
    • 2_3_dimethyl_maleic_anhydride
    • 3,4-dimethyluran-2,5-dione
    • WLN: T5VOVJ D1 E1
    • Anhydride of dimethylmaleic acid
    • 3,4-Dimethyl-2,5-furanedione
    • CHEMBL2270559
    • DTXCID5047902
    • 2,5-furandione, 3,4-dimethyl
    • alpha,betaDimethylmaleic anhydride
    • CHEBI:182178
    • 2,3-Dimethylmaleic acid anhydride
    • 2,3-dimethyl maleic acid anhydride
    • NSC92512
    • STR00830
    • 2,3-Dimethylmaleic anhydride, 98%
    • AKOS008901117
    • AKOS025243217
    • AC-1533
    • CS-W016566
    • FD42376
    • PS-4164
    • SY008056
    • DB-011473
    • D3473
    • NS00037820
    • EN300-54731
    • Q27265297
    • 212-165-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.62
    methanol 141.41
    isopropanol 113.63
    water 5.26
    ethyl acetate 148.41
    n-propanol 86.36
    acetone 267.06
    n-butanol 81.4
    acetonitrile 187.83
    DMF 491.06
    toluene 54.84
    isobutanol 71.49
    1,4-dioxane 276.25
    methyl acetate 222.69
    THF 272.21
    2-butanone 205.65
    n-pentanol 75.36
    sec-butanol 115.83
    n-hexane 8.68
    ethylene glycol 31.67
    NMP 355.29
    cyclohexane 6.09
    DMSO 341.59
    n-butyl acetate 63.0
    n-octanol 31.89
    chloroform 323.83
    n-propyl acetate 82.12
    acetic acid 166.08
    dichloromethane 279.85
    cyclohexanone 157.62
    propylene glycol 36.27
    isopropyl acetate 101.09
    DMAc 405.72
    2-ethoxyethanol 179.53
    isopentanol 87.64
    n-heptane 4.11
    ethyl formate 110.32
    1,2-dichloroethane 185.33
    n-hexanol 50.62
    2-methoxyethanol 245.86
    isobutyl acetate 42.16
    tetrachloromethane 59.38
    n-pentyl acetate 61.25
    transcutol 243.5
    n-heptanol 37.09
    ethylbenzene 48.22
    MIBK 92.86
    2-propoxyethanol 125.22
    tert-butanol 171.01
    MTBE 145.08
    2-butoxyethanol 89.63
    propionic acid 114.95
    o-xylene 57.7
    formic acid 107.78
    diethyl ether 135.13
    m-xylene 43.62
    p-xylene 77.28
    chlorobenzene 94.45
    dimethyl carbonate 107.2
    n-octane 3.01
    formamide 324.34
    cyclopentanone 224.28
    2-pentanone 136.32
    anisole 147.91
    cyclopentyl methyl ether 99.3
    gamma-butyrolactone 314.78
    1-methoxy-2-propanol 187.93
    pyridine 206.71
    3-pentanone 116.62
    furfural 314.98
    n-dodecane 2.72
    diethylene glycol 98.85
    diisopropyl ether 43.35
    tert-amyl alcohol 178.43
    acetylacetone 190.51
    n-hexadecane 3.2
    acetophenone 151.85
    methyl propionate 143.09
    isopentyl acetate 64.77
    trichloroethylene 412.53
    n-nonanol 32.8
    cyclohexanol 66.85
    benzyl alcohol 104.49
    2-ethylhexanol 32.04
    isooctanol 34.46
    dipropyl ether 34.72
    1,2-dichlorobenzene 108.62
    ethyl lactate 52.54
    propylene carbonate 160.39
    n-methylformamide 242.91
    2-pentanol 77.3
    n-pentane 7.65
    1-propoxy-2-propanol 77.19
    1-methoxy-2-propyl acetate 90.97
    2-(2-methoxypropoxy) propanol 97.69
    mesitylene 29.57
    ε-caprolactone 157.59
    p-cymene 23.04
    epichlorohydrin 341.32
    1,1,1-trichloroethane 208.98
    2-aminoethanol 65.79
    morpholine-4-carbaldehyde 349.85
    sulfolane 335.54
    2,2,4-trimethylpentane 7.33
    2-methyltetrahydrofuran 191.85
    n-hexyl acetate 80.18
    isooctane 4.73
    2-(2-butoxyethoxy)ethanol 112.54
    sec-butyl acetate 65.53
    tert-butyl acetate 126.25
    decalin 7.93
    glycerin 65.33
    diglyme 232.9
    acrylic acid 121.07
    isopropyl myristate 37.28
    n-butyric acid 116.38
    acetyl acetate 110.83
    di(2-ethylhexyl) phthalate 40.05
    ethyl propionate 85.73
    nitromethane 496.18
    1,2-diethoxyethane 90.28
    benzonitrile 107.3
    trioctyl phosphate 26.48
    1-bromopropane 80.87
    gamma-valerolactone 326.35
    n-decanol 24.44
    triethyl phosphate 39.25
    4-methyl-2-pentanol 50.72
    propionitrile 105.2
    vinylene carbonate 148.42
    1,1,2-trichlorotrifluoroethane 235.79
    DMS 91.71
    cumene 35.19
    2-octanol 30.22
    2-hexanone 102.47
    octyl acetate 46.2
    limonene 26.33
    1,2-dimethoxyethane 274.75
    ethyl orthosilicate 36.54
    tributyl phosphate 32.72
    diacetone alcohol 150.5
    N,N-dimethylaniline 105.04
    acrylonitrile 159.35
    aniline 98.36
    1,3-propanediol 98.92
    bromobenzene 87.05
    dibromomethane 165.18
    1,1,2,2-tetrachloroethane 312.56
    2-methyl-cyclohexyl acetate 54.34
    tetrabutyl urea 46.88
    diisobutyl methanol 25.0
    2-phenylethanol 84.15
    styrene 56.31
    dioctyl adipate 51.74
    dimethyl sulfate 193.49
    ethyl butyrate 53.77
    methyl lactate 85.18
    butyl lactate 50.04
    diethyl carbonate 45.39
    propanediol butyl ether 66.56
    triethyl orthoformate 42.59
    p-tert-butyltoluene 24.37
    methyl 4-tert-butylbenzoate 111.02
    morpholine 263.87
    tert-butylamine 91.93
    n-dodecanol 18.16
    dimethoxymethane 241.44
    ethylene carbonate 109.62
    cyrene 119.78
    2-ethoxyethyl acetate 97.65
    2-ethylhexyl acetate 49.33
    1,2,4-trichlorobenzene 134.58
    4-methylpyridine 225.52
    dibutyl ether 36.26
    2,6-dimethyl-4-heptanol 25.0
    DEF 183.57
    dimethyl isosorbide 164.97
    tetrachloroethylene 216.28
    eugenol 110.56
    triacetin 93.75
    span 80 68.26
    1,4-butanediol 45.5
    1,1-dichloroethane 191.99
    2-methyl-1-pentanol 82.08
    methyl formate 188.92
    2-methyl-1-butanol 81.58
    n-decane 4.61
    butyronitrile 88.61
    3,7-dimethyl-1-octanol 35.18
    1-chlorooctane 19.47
    1-chlorotetradecane 9.03
    n-nonane 3.95
    undecane 3.47
    tert-butylcyclohexane 8.01
    cyclooctane 2.71
    cyclopentanol 87.06
    tetrahydropyran 129.4
    tert-amyl methyl ether 125.53
    2,5,8-trioxanonane 161.67
    1-hexene 32.19
    2-isopropoxyethanol 124.48
    2,2,2-trifluoroethanol 131.14
    methyl butyrate 109.99

    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
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.07%