Hexahydrophthalic anhydride

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  • Identifiers

    CAS number
    85-42-7

    Molecular formula
    C8H10O3

    SMILES
    C1CCC2C(C1)C(=O)OC2=O

    Safety labels

    Corrosive
    Corrosive

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Coumarinic 53.72%
    Coconut 51.21%
    Spicy 48.95%
    Sweet 47.87%
    Nutty 47.66%
    Tobacco 38.51%
    Herbal 35.53%
    Lactonic 35.5%
    Caramellic 35.07%
    Woody 31.7%

     

    Flavor
    Bitter 41.72%
    Tonka 24.83%
    Coconut 22.34%
    Fenugreek 21.5%
    Buttery 21.19%
    Coumarin 20.95%
    Lovage 20.58%
    Cotton candy 20.26%
    Maple syrup 20.21%
    Extremely sweet 20.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.91 (neutral)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 32 °C
    • 35-36 °C
    • 89.6 °F

    Boiling point

    • BP: 145 °C at 18 mm Hg
    • 296 °C
    • 564.8 °F

    Flash point

    • 168.47 ˚C est.
    • 149 °C (open cup)
    • 300.2 °F

    Solubility expt.

    • Miscible with benzene, toluene, acetone, carbon tetrachloride, chloroform, ethanol, and ethyl acetate; slightly soluble in petroleum ether
    • Solubility in water: reaction

  • Synonyms

    • Hexahydrophthalic anhydride
    • 85-42-7
    • 1,2-Cyclohexanedicarboxylic anhydride
    • HHPA
    • Lekutherm Hardener H
    • Hexahydrophthalic acid anhydride
    • 1,3-Isobenzofurandione, hexahydro-
    • Araldite HT 907
    • Cyclohexane-1,2-dicarboxylic anhydride
    • 1,2-Cyclohexanedicarboxylic acid anhydride
    • hexahydro-1,3-isobenzofurandione
    • Hexahydro-2-benzofuran-1,3-dione
    • DTXSID8026515
    • CHEBI:103210
    • DTXCID906515
    • RefChem:146059
    • Hexahydrophthalic anhydride, all isomers
    • 201-604-9
    • Hexahydroisobenzofuran-1,3-dione
    • octahydro-2-benzofuran-1,3-dione
    • NT 907
    • NSC 8622
    • MFCD00064863
    • 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
    • 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione
    • Cyclohexane-1,2-dicarboxylic acid anhydride
    • 1,2-Cyclohexane dicarboxylic anhydride
    • 1,2-Cyclohexanedicarboxylic anhydride, cis + trans
    • Hexahydrophthalic anhydride(HHPA);Hexahydroisobenzofuran-1,3-dione
    • trans-1,2-Cyclohexanedicarboxylic anhydride
    • 1,3-Isobenzofurandione, hexahydro-, trans-
    • EINECS 201-604-9
    • MFCD00064345
    • HSDB 7912
    • rel-(3aR,7aR)-Hexahydroisobenzofuran-1,3-dione
    • Lurasidone Impurity 96
    • hexahydrophtalic anhydride
    • Epitope ID:122664
    • EC 201-604-9
    • SCHEMBL15324
    • CHEMBL273968
    • SCHEMBL6882262
    • NSC8622
    • NAA14900
    • Tox21_200661
    • BBL011768
    • SBB058760
    • STK387488
    • Hexahydro-2-benzofuran-1,3-dione #
    • 2,4,5,6-tetrahydrophthalic anhydride
    • AKOS000119684
    • AKOS016352936
    • CS-W018047
    • DS-4586
    • SB44842
    • CAS-85-42-7
    • NCGC00248785-01
    • NCGC00258215-01
    • AC-19638
    • DB-042035
    • DB-042579
    • DB-056869
    • C1417
    • C1657
    • NS00005320
    • ST50902927
    • EN300-18014
    • Cis-1,2-cyclohexanedicarboxylic anhydride, cis
    • D70901
    • 4,5,6,7,3a,7a-hexahydroisobenzofuran-1,3-dione
    • A841328
    • F791501
    • Q26840977
    • Z57127491
    • F0001-0429
    • 1,2-Cyclohexanedicarboxylic acid anhydride predominately cis
    • (7aS,3aR)-4,5,6,7,3a,7a-hexahydroisobenzofuran-1,3-dione
    • InChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H
    • 85-42-7

  • Applications

    Hexahydrophthalic anhydride (CAS 85-42-7) is primarily used as a diacid-type comonomer and reactive intermediate in thermosetting resin systems. It serves as a key building block in unsaturated polyester resins and alkyd/polyester blends for coatings and composite applications, delivering mechanical performance and chemical resistance. It also functions as an anhydride curing agent for epoxy resins, enabling crosslinked networks with enhanced thermal stability. In addition, HHPA is used as a precursor for specialty polymers and adhesives, supplying rigid segments that enhance performance in industrial coatings and sealants. It may be employed in powder coating formulations and other high-performance thermosetting systems, including electronics encapsulation, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.54
    methanol 51.88
    isopropanol 42.73
    water 0.66
    ethyl acetate 69.71
    n-propanol 38.89
    acetone 121.98
    n-butanol 37.2
    acetonitrile 91.84
    DMF 343.93
    toluene 25.54
    isobutanol 31.2
    1,4-dioxane 157.81
    methyl acetate 99.53
    THF 177.81
    2-butanone 86.9
    n-pentanol 32.99
    sec-butanol 42.39
    n-hexane 2.3
    ethylene glycol 32.07
    NMP 260.0
    cyclohexane 3.61
    DMSO 229.3
    n-butyl acetate 59.39
    n-octanol 44.28
    chloroform 219.88
    n-propyl acetate 40.89
    acetic acid 76.33
    dichloromethane 155.55
    cyclohexanone 124.37
    propylene glycol 39.62
    isopropyl acetate 49.94
    DMAc 243.94
    2-ethoxyethanol 79.29
    isopentanol 39.73
    n-heptane 2.34
    ethyl formate 68.07
    1,2-dichloroethane 114.8
    n-hexanol 45.54
    2-methoxyethanol 147.14
    isobutyl acetate 28.14
    tetrachloromethane 15.48
    n-pentyl acetate 53.19
    transcutol 434.83
    n-heptanol 32.57
    ethylbenzene 21.06
    MIBK 49.68
    2-propoxyethanol 108.63
    tert-butanol 54.88
    MTBE 38.07
    2-butoxyethanol 79.84
    propionic acid 71.44
    o-xylene 24.09
    formic acid 46.39
    diethyl ether 35.34
    m-xylene 22.73
    p-xylene 30.83
    chlorobenzene 74.87
    dimethyl carbonate 57.54
    n-octane 2.31
    formamide 87.25
    cyclopentanone 167.58
    2-pentanone 62.36
    anisole 62.41
    cyclopentyl methyl ether 50.96
    gamma-butyrolactone 213.59
    1-methoxy-2-propanol 119.79
    pyridine 134.59
    3-pentanone 46.56
    furfural 253.91
    n-dodecane 3.66
    diethylene glycol 119.04
    diisopropyl ether 14.58
    tert-amyl alcohol 50.49
    acetylacetone 113.92
    n-hexadecane 4.25
    acetophenone 73.91
    methyl propionate 72.25
    isopentyl acetate 55.94
    trichloroethylene 246.49
    n-nonanol 40.67
    cyclohexanol 41.57
    benzyl alcohol 59.36
    2-ethylhexanol 28.81
    isooctanol 28.01
    dipropyl ether 22.51
    1,2-dichlorobenzene 82.63
    ethyl lactate 47.89
    propylene carbonate 120.56
    n-methylformamide 137.95
    2-pentanol 29.81
    n-pentane 1.97
    1-propoxy-2-propanol 76.41
    1-methoxy-2-propyl acetate 85.7
    2-(2-methoxypropoxy) propanol 112.26
    mesitylene 17.87
    ε-caprolactone 118.17
    p-cymene 18.38
    epichlorohydrin 224.37
    1,1,1-trichloroethane 78.21
    2-aminoethanol 45.69
    morpholine-4-carbaldehyde 248.33
    sulfolane 263.54
    2,2,4-trimethylpentane 2.24
    2-methyltetrahydrofuran 92.15
    n-hexyl acetate 92.01
    isooctane 2.11
    2-(2-butoxyethoxy)ethanol 146.4
    sec-butyl acetate 33.39
    tert-butyl acetate 56.39
    decalin 4.73
    glycerin 78.0
    diglyme 237.32
    acrylic acid 85.8
    isopropyl myristate 36.81
    n-butyric acid 72.25
    acetyl acetate 59.64
    di(2-ethylhexyl) phthalate 46.7
    ethyl propionate 44.78
    nitromethane 225.61
    1,2-diethoxyethane 82.73
    benzonitrile 92.44
    trioctyl phosphate 33.99
    1-bromopropane 40.67
    gamma-valerolactone 236.81
    n-decanol 32.2
    triethyl phosphate 33.41
    4-methyl-2-pentanol 25.01
    propionitrile 63.71
    vinylene carbonate 130.68
    1,1,2-trichlorotrifluoroethane 172.04
    DMS 92.13
    cumene 18.32
    2-octanol 28.82
    2-hexanone 45.13
    octyl acetate 49.58
    limonene 20.69
    1,2-dimethoxyethane 140.0
    ethyl orthosilicate 29.15
    tributyl phosphate 39.23
    diacetone alcohol 87.19
    N,N-dimethylaniline 45.97
    acrylonitrile 111.13
    aniline 51.42
    1,3-propanediol 62.8
    bromobenzene 69.14
    dibromomethane 92.66
    1,1,2,2-tetrachloroethane 205.25
    2-methyl-cyclohexyl acetate 42.46
    tetrabutyl urea 57.18
    diisobutyl methanol 22.09
    2-phenylethanol 67.67
    styrene 25.21
    dioctyl adipate 52.77
    dimethyl sulfate 107.73
    ethyl butyrate 40.83
    methyl lactate 83.07
    butyl lactate 63.7
    diethyl carbonate 37.84
    propanediol butyl ether 106.33
    triethyl orthoformate 37.39
    p-tert-butyltoluene 17.96
    methyl 4-tert-butylbenzoate 84.25
    morpholine 152.38
    tert-butylamine 27.34
    n-dodecanol 25.67
    dimethoxymethane 119.9
    ethylene carbonate 94.74
    cyrene 89.85
    2-ethoxyethyl acetate 80.6
    2-ethylhexyl acetate 44.14
    1,2,4-trichlorobenzene 103.27
    4-methylpyridine 110.96
    dibutyl ether 36.47
    2,6-dimethyl-4-heptanol 22.09
    DEF 96.33
    dimethyl isosorbide 151.67
    tetrachloroethylene 110.54
    eugenol 98.72
    triacetin 89.68
    span 80 87.59
    1,4-butanediol 33.94
    1,1-dichloroethane 89.26
    2-methyl-1-pentanol 35.01
    methyl formate 118.1
    2-methyl-1-butanol 35.33
    n-decane 4.88
    butyronitrile 56.59
    3,7-dimethyl-1-octanol 43.19
    1-chlorooctane 25.65
    1-chlorotetradecane 12.6
    n-nonane 4.11
    undecane 4.17
    tert-butylcyclohexane 4.07
    cyclooctane 1.74
    cyclopentanol 58.15
    tetrahydropyran 72.75
    tert-amyl methyl ether 33.64
    2,5,8-trioxanonane 179.35
    1-hexene 11.03
    2-isopropoxyethanol 59.83
    2,2,2-trifluoroethanol 53.71
    methyl butyrate 58.76

    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