826-62-0

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  • Identifiers

    CAS number
    826-62-0

    Molecular formula
    C9H8O3

    SMILES
    C1C2C=CC1C3C2C(=O)OC3=O

    Safety labels

    Corrosive
    Corrosive

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 58.9%
    Nutty 45.49%
    Spicy 45.39%
    Sweet 35.73%
    Woody 32.02%
    Herbal 29.32%
    Coumarinic 26.31%
    Odorless 24.08%
    Coconut 23.91%
    Balsamic 20.04%

     

    Flavor
    Bitter 85.51%
    Cedarleaf 19.16%
    Lovage 18.56%
    Nitrile 18.38%
    Sweet-like 18.17%
    Fenugreek 18.02%
    Shrimp 17.84%
    Alkaline 17.79%
    Basil 17.78%
    Oriental 17.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.07 (neutral)

    Molecular weight
    164.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    314°C

    Flash point

    • 139.29 ˚C est.

  • Synonyms

    • 826-62-0
    • 5-Norbornene-2,3-dicarboxylic anhydride
    • 2-Norbornene-5,6-dicarboxylic anhydride
    • 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-
    • 3,6-Endomethylenetetrahydrophthalic anhydride
    • 5-Norbornene-2,3-dicarboxylic acid anhydride
    • NSC 3999
    • EINECS 212-557-9
    • 1,2,3,6-Tetrahydro-3,6-methanophthalic anhydride
    • DTXSID0047456
    • 3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride
    • cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride
    • DTXCID8027456
    • Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove
    • Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove [Czech]
    • RefChem:107368
    • 2Norbornene5,6dicarboxylic anhydride
    • Cyclopentadienemaleic anhydride adduct
    • 3,6Endomethylenetetrahydrophthalic anhydride
    • 1,2,3,6Tetrahydro3,6methanophthalic anhydride
    • 3,6Methylene1,2,3,6tetrahydrophthalic anhydride
    • 5-Norbornene-2,3-dicarboxylic anhydride (8CI)
    • Bicyclo(2.2.1)hept5ene2,3dicarboxylic anhydride
    • 1,3Cyclopentadiene, compd. with 2,5furandione (1:1)
    • 3,6Endomethylenephthalic anhydride, 1,2,3,6tetrahydro
    • 4,7Methanoisobenzofuran1,3dione, 3a,4,7,7atetrahydro
    • Anhydrid kyseliny 3,6endomethylendelta(sup 4)tetrahydroftalove
    • 3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione
    • 4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
    • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride
    • Endomethylenetetrahydrophthalic anhydride
    • Methylenetetrahydrophthalic anhydride
    • Norbornenedicarboxylic acid anhydride
    • Nadic Anhydride (NA)
    • cis-5-Norbornene-exo-2,3-dicarboxylic anhydride
    • Nadic anhydrous
    • 5-Norbornene-endo-2,3-dicarboxylic anhydride
    • 3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
    • BICYCLO(2.2.1)-HEPT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE
    • MFCD00630580
    • Exo-cis-5-Norbornene-2,3-dicarboxylic anhydride
    • bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic anhydride
    • 3,6-Endomethylene-.DELTA.4-tetrahydrophthalic anhydride
    • MFCD00069013
    • 3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-
    • (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-3a,4,7,7a-Tetrahydro-4,7-methano-isobenzofuran-1,3-dione
    • cis-5-Norbornene-endo-2,3-dicarboxylic anhydride
    • Bicyclo[2.2.1]-hept-5-ene-2,3-dicarboxylic anhydride
    • exo-5-Norbornene-2,3-dicarboxylic anhydride
    • 5-Norbornene-2, cis-exo-
    • NCIOpen2_001832
    • SCHEMBL27496
    • endo,3-dicarboxylic anhydride
    • CHEMBL268522
    • 3, 1,2,3,6-tetrahydro-
    • NSC3999
    • Tox21_300273
    • BBL010668
    • NSC102277
    • NSC110659
    • SBB008464
    • STL146298
    • AKOS000121029
    • AKOS016352932
    • CS-W017913
    • FN01613
    • SB66305
    • 5-norbomene-2,3-dicarboxylic anhydride
    • NCGC00247985-01
    • NCGC00254212-01
    • WLN: T556/FJ 2AE J BVOV IUTJ
    • CAS-826-62-0
    • cis-3,2,3,6-tetrahydropthalic anhydride
    • VS-02608
    • exo-3,2,3,6-tetrahydrophthalic anhydride
    • DB-050505
    • endo-3,2,3,6-tetrahydrophthalic anhydride
    • N0331
    • N0767
    • NS00038218
    • NS00079549
    • EN300-18013
    • 29C646
    • E83026
    • endo,cis-5-Norbornene-2,3-dicarboxylic anhydride
    • exo-cis-5-norbornene-2, 3-dicarboxylic anhydride
    • 4-oxatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione
    • 4-oxatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dione
    • Bicyclo[2,2,1]5-heptene-2,3-dicarboxylic anhydride
    • bicyclo[2.2.1]hept-5-en-2,3-dicarboxylic anhydride
    • cis-5-norbornene-endo-2,3-dicarboxylic acid anhydride
    • bicyclo[2. 2. 1]hept-5-ene-2,3-dicarboxylic anhydride
    • bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid anhydride
    • Bicyclo[2.2.1]hept-5-ene-exo-2,3-dicarboxylic Anhydride
    • 4-OXATRICYCLO[5.2.1.0(2),?]DEC-8-ENE-3,5-DIONE
    • Bicyclo[2.2.1hept-5-ene-2-endo,3-endo-dicarboxylic anhydride
    • Anhydrid kyseliny 3,6-endomethylen-.delta.(sup 4)-tetrahydroftalove
    • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid endo-cis-anhydride
    • (3at,7at)-3a,4,7,7a-tetrahydro-4r,7c-methano-isobenzofuran-1,3-dione
    • 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
    • 826-62-0

  • Applications

    Chemical name: 826-62-0; CAS number: 826-62-0 is an organic intermediate used in chemical synthesis; it may function as a solvent or co-solvent in industrial formulations; it can act as a processing aid and additive in coatings, inks, and adhesives; it can serve as a plasticizer or stabilizer in polymer systems; and it is evaluated for use in cleaning formulations and related industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.16
    methanol 43.54
    isopropanol 42.26
    water 1.72
    ethyl acetate 139.48
    n-propanol 35.22
    acetone 277.98
    n-butanol 41.06
    acetonitrile 229.51
    DMF 551.6
    toluene 38.45
    isobutanol 37.33
    1,4-dioxane 288.01
    methyl acetate 221.34
    THF 305.13
    2-butanone 179.56
    n-pentanol 45.71
    sec-butanol 48.51
    n-hexane 3.31
    ethylene glycol 40.88
    NMP 408.1
    cyclohexane 4.09
    DMSO 414.22
    n-butyl acetate 91.95
    n-octanol 59.91
    chloroform 198.59
    n-propyl acetate 106.12
    acetic acid 109.41
    dichloromethane 166.77
    cyclohexanone 164.9
    propylene glycol 55.35
    isopropyl acetate 92.34
    DMAc 409.54
    2-ethoxyethanol 146.58
    isopentanol 53.81
    n-heptane 4.14
    ethyl formate 118.59
    1,2-dichloroethane 140.69
    n-hexanol 60.88
    2-methoxyethanol 233.36
    isobutyl acetate 59.64
    tetrachloromethane 17.49
    n-pentyl acetate 64.28
    transcutol 705.74
    n-heptanol 42.5
    ethylbenzene 29.66
    MIBK 91.29
    2-propoxyethanol 174.09
    tert-butanol 79.43
    MTBE 69.55
    2-butoxyethanol 111.61
    propionic acid 96.33
    o-xylene 34.98
    formic acid 65.83
    diethyl ether 65.01
    m-xylene 36.19
    p-xylene 44.72
    chlorobenzene 83.9
    dimethyl carbonate 148.95
    n-octane 3.03
    formamide 135.68
    cyclopentanone 256.25
    2-pentanone 130.15
    anisole 114.25
    cyclopentyl methyl ether 96.67
    gamma-butyrolactone 319.64
    1-methoxy-2-propanol 199.49
    pyridine 159.5
    3-pentanone 104.71
    furfural 345.0
    n-dodecane 4.91
    diethylene glycol 202.55
    diisopropyl ether 28.27
    tert-amyl alcohol 66.02
    acetylacetone 243.98
    n-hexadecane 5.58
    acetophenone 119.8
    methyl propionate 149.29
    isopentyl acetate 78.6
    trichloroethylene 276.4
    n-nonanol 55.89
    cyclohexanol 53.04
    benzyl alcohol 84.65
    2-ethylhexanol 42.85
    isooctanol 38.5
    dipropyl ether 46.33
    1,2-dichlorobenzene 87.75
    ethyl lactate 98.78
    propylene carbonate 174.28
    n-methylformamide 222.1
    2-pentanol 41.16
    n-pentane 2.81
    1-propoxy-2-propanol 127.58
    1-methoxy-2-propyl acetate 146.76
    2-(2-methoxypropoxy) propanol 170.51
    mesitylene 26.73
    ε-caprolactone 148.88
    p-cymene 25.5
    epichlorohydrin 345.83
    1,1,1-trichloroethane 107.11
    2-aminoethanol 52.05
    morpholine-4-carbaldehyde 416.93
    sulfolane 380.84
    2,2,4-trimethylpentane 3.84
    2-methyltetrahydrofuran 155.76
    n-hexyl acetate 108.97
    isooctane 3.51
    2-(2-butoxyethoxy)ethanol 219.81
    sec-butyl acetate 71.91
    tert-butyl acetate 101.47
    decalin 5.94
    glycerin 123.74
    diglyme 372.63
    acrylic acid 119.58
    isopropyl myristate 49.17
    n-butyric acid 93.35
    acetyl acetate 118.81
    di(2-ethylhexyl) phthalate 56.38
    ethyl propionate 104.77
    nitromethane 464.52
    1,2-diethoxyethane 126.93
    benzonitrile 116.51
    trioctyl phosphate 43.02
    1-bromopropane 50.13
    gamma-valerolactone 346.05
    n-decanol 44.18
    triethyl phosphate 51.55
    4-methyl-2-pentanol 39.42
    propionitrile 110.84
    vinylene carbonate 178.04
    1,1,2-trichlorotrifluoroethane 262.25
    DMS 145.0
    cumene 24.91
    2-octanol 35.24
    2-hexanone 103.91
    octyl acetate 64.73
    limonene 31.05
    1,2-dimethoxyethane 281.96
    ethyl orthosilicate 44.81
    tributyl phosphate 51.65
    diacetone alcohol 154.87
    N,N-dimethylaniline 75.54
    acrylonitrile 199.73
    aniline 68.28
    1,3-propanediol 72.77
    bromobenzene 78.01
    dibromomethane 91.05
    1,1,2,2-tetrachloroethane 211.46
    2-methyl-cyclohexyl acetate 65.56
    tetrabutyl urea 73.55
    diisobutyl methanol 32.31
    2-phenylethanol 91.14
    styrene 35.64
    dioctyl adipate 72.09
    dimethyl sulfate 237.13
    ethyl butyrate 77.23
    methyl lactate 161.44
    butyl lactate 78.43
    diethyl carbonate 64.11
    propanediol butyl ether 158.93
    triethyl orthoformate 60.15
    p-tert-butyltoluene 25.36
    methyl 4-tert-butylbenzoate 107.95
    morpholine 235.75
    tert-butylamine 38.51
    n-dodecanol 35.46
    dimethoxymethane 261.45
    ethylene carbonate 138.71
    cyrene 153.87
    2-ethoxyethyl acetate 110.52
    2-ethylhexyl acetate 61.19
    1,2,4-trichlorobenzene 111.29
    4-methylpyridine 149.01
    dibutyl ether 53.01
    2,6-dimethyl-4-heptanol 32.31
    DEF 169.83
    dimethyl isosorbide 228.45
    tetrachloroethylene 109.38
    eugenol 134.88
    triacetin 132.49
    span 80 115.27
    1,4-butanediol 51.88
    1,1-dichloroethane 114.94
    2-methyl-1-pentanol 50.44
    methyl formate 237.63
    2-methyl-1-butanol 44.95
    n-decane 6.31
    butyronitrile 86.31
    3,7-dimethyl-1-octanol 59.91
    1-chlorooctane 33.06
    1-chlorotetradecane 16.5
    n-nonane 5.17
    undecane 5.6
    tert-butylcyclohexane 5.72
    cyclooctane 2.35
    cyclopentanol 76.95
    tetrahydropyran 114.84
    tert-amyl methyl ether 60.0
    2,5,8-trioxanonane 285.54
    1-hexene 16.18
    2-isopropoxyethanol 118.04
    2,2,2-trifluoroethanol 93.7
    methyl butyrate 123.58

    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