1,4-Cyclohexanedicarboxylic acid

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  • Identifiers

    CAS number
    1076-97-7

    Molecular formula
    C8H12O4

    SMILES
    C1CC(CCC1C(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 42.81%
    Cheesy 37.3%
    Fruity 35.76%
    Sour 35.31%
    Roasted 30.27%
    Caramellic 28.47%
    Burnt 26.89%
    Sharp 26.78%
    Sulfurous 25.1%
    Savory 23.01%

     

    Flavor
    Odorless 56.68%
    Sour 38.46%
    Faint 25.93%
    Very mild 24.24%
    Yeast 22.38%
    Urine 21.4%
    Mild 21.26%
    Acidic 21.0%
    Formyl 20.77%
    Soy 20.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.99 (weak acid)

    Molecular weight
    172.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 215.56 ˚C est.

  • Synonyms

    • 1,4-CYCLOHEXANEDICARBOXYLIC ACID
    • 1076-97-7
    • cyclohexane-1,4-dicarboxylic acid
    • Hexahydroterephthalic acid
    • 1,4-Dicarboxycyclohexane
    • Terephthalic acid, hexahydro-
    • EINECS 214-068-6
    • DTXSID2038788
    • (1S,4S)-CYCLOHEXANE-1,4-DICARBOXYLIC ACID
    • 13LBH83IU4
    • DTXCID0018788
    • PXGZQGDTEZPERC-UHFFFAOYSA-
    • CHEBI:145052
    • EC 214-068-6
    • 1,4-CHDA-HP
    • RefChem:416574
    • 1,4-BENZENEDICARBOXYLIC ACID, HEXAHYDRO-
    • 214-068-6
    • 679-605-2
    • InChI=1/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
    • trans-1,4-Cyclohexanedicarboxylic acid
    • 619-82-9
    • 619-81-8
    • cis-1,4-Cyclohexanedicarboxylic acid
    • cis-Cyclohexane-1,4-dicarboxylic acid
    • trans-Cyclohexane-1,4-dicarboxylic acid
    • cis-Hexahydroterephthalic acid
    • trans-1,4-Cyclohexanedicarboxybic acid
    • trans-Hexahydroterephthalic acid
    • 1,4-Cyclohexanedicarboxylic acid, cis-
    • 1,4-Cyclohexanedicarboxylic acid, trans-
    • cis-1,4-Cyclohexanedicarboxybic acid
    • (1r,4r)-cyclohexane-1,4-dicarboxylic acid
    • MFCD00001465
    • MFCD00066203
    • MFCD00064950
    • 1,4-cis-cyclohexanedicarboxylic acid
    • 68QED0R44U
    • NSC-621
    • 1,4-Cyclohexanedicarboxylic acid,c&t
    • NSC-61121
    • trans-1,4-Cyclohexyldicarboxylic acid
    • 18W55738KH
    • trans-1,4-Cyclohexane-1,4-dicarboxylic acid
    • 1,4-Cyclohexanedicarboxylic acid;CHDA
    • UNII-13LBH83IU4
    • UNII-68QED0R44U
    • trans-Hexahydro-p-phthalic acid
    • UNII-18W55738KH
    • 1,4-cyclohexane dicarboxylic acid
    • EINECS 210-614-2
    • 1,4-Cyclohexanedicarboxylic acid, (E)-
    • 1alpha,4alpha-Cyclohexanedicarboxylic acid
    • Maybridge1_003835
    • 1,4-Cyclohexanedicarboxylic acid, cis + trans
    • SCHEMBL26833
    • SCHEMBL36093
    • SCHEMBL196124
    • NSC621
    • CHEMBL3187151
    • HMS552G07
    • NSC 621
    • 1,4 cyclohexane dicarboxylic acid
    • 1,4-cyclohexane-dicarboxylic acid
    • DTXSID001290604
    • DTXSID901031536
    • NSC61121
    • Tox21_300649
    • AC8051
    • cis-Cyclohexane-1,4-dicarboxylicacid
    • NSC 61121
    • SBB008430
    • STK286097
    • AKOS000119919
    • AKOS006239068
    • AKOS015833094
    • CS-W017607
    • CS-W017613
    • DS-4537
    • FC40158
    • SB11027
    • 1,4-Cyclohexanedicarboxylic acid, 99%
    • 1,4-trans-cyclohexane dicarboxylic acid
    • trans-1,4-cyclohexane dicarboxylic acid
    • trans-cyclohexane-l,4-dicarboxylic acid
    • 1,4-Cyclohexanedicarboxylic acid, (Z)-
    • NCGC00248127-01
    • NCGC00248127-02
    • NCGC00254557-01
    • trans-4-Carboxycyclohexanecarboxylic acid
    • AS-12942
    • DS-14335
    • SY001850
    • SY011569
    • SY025810
    • CAS-1076-97-7
    • DB-007925
    • DB-040778
    • DB-054035
    • NS00004982
    • NS00080517
    • ST50307362
    • EN300-20569
    • trans-1,4-Cyclohexanedicarboxylic acid, 95%
    • D83393
    • EN300-126761
    • EN300-141859
    • AB01331427-02
    • 619C818
    • A801743
    • A833516
    • A833517
    • F036385
    • F093735
    • F987386
    • Q27252036
    • Q27264264
    • F8889-5637
    • F8889-8705
    • Z104478928
    • 1,4-Cyclohexanedicarboxylic acid 100 microg/mL in Acetonitrile:Methanol
    • 1076-97-7

  • Applications

    1,4-Cyclohexanedicarboxylic acid (CAS 1076-97-7) is primarily used as a diacid monomer or intermediate in the synthesis of cycloaliphatic polymers, enabling the production of polyesters, polyamides, and polyurethanes with enhanced rigidity, thermal stability, and mechanical performance. It is used as a building block for diacid- or ester-derived polymer formulations in high-performance coatings and industrial adhesives. The compound is also employed as an intermediate for specialty polymers intended for electronics and optical applications due to its rigid cyclohexane ring. In addition, it serves as an industrial chemical intermediate that can be converted into more complex diacids, esters, and amides for advanced materials. These uses are pursued under applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.34
    methanol 35.78
    isopropanol 7.62
    water 4.13
    ethyl acetate 2.13
    n-propanol 8.26
    acetone 5.75
    n-butanol 4.13
    acetonitrile 0.98
    DMF 35.28
    toluene 0.43
    isobutanol 3.7
    1,4-dioxane 5.5
    methyl acetate 3.48
    THF 5.9
    2-butanone 4.67
    n-pentanol 2.67
    sec-butanol 5.62
    n-hexane 0.46
    ethylene glycol 16.92
    NMP 65.55
    cyclohexane 0.31
    DMSO 131.9
    n-butyl acetate 2.95
    n-octanol 2.96
    chloroform 4.7
    n-propyl acetate 0.82
    acetic acid 18.25
    dichloromethane 4.43
    cyclohexanone 3.21
    propylene glycol 14.09
    isopropyl acetate 1.38
    DMAc 35.95
    2-ethoxyethanol 12.43
    isopentanol 3.12
    n-heptane 0.4
    ethyl formate 3.55
    1,2-dichloroethane 3.79
    n-hexanol 4.55
    2-methoxyethanol 31.56
    isobutyl acetate 0.21
    tetrachloromethane 2.14
    n-pentyl acetate 2.79
    transcutol 33.15
    n-heptanol 3.51
    ethylbenzene 0.54
    MIBK 1.66
    2-propoxyethanol 14.7
    tert-butanol 8.87
    MTBE 2.58
    2-butoxyethanol 9.66
    propionic acid 14.19
    o-xylene 1.22
    formic acid 39.28
    diethyl ether 2.16
    m-xylene 0.61
    p-xylene 0.55
    chlorobenzene 0.87
    dimethyl carbonate 3.02
    n-octane 0.2
    formamide 54.18
    cyclopentanone 6.2
    2-pentanone 2.45
    anisole 1.49
    cyclopentyl methyl ether 2.08
    gamma-butyrolactone 11.94
    1-methoxy-2-propanol 16.65
    pyridine 3.34
    3-pentanone 2.68
    furfural 16.93
    n-dodecane 0.12
    diethylene glycol 24.74
    diisopropyl ether 0.87
    tert-amyl alcohol 8.62
    acetylacetone 4.02
    n-hexadecane 0.13
    acetophenone 2.9
    methyl propionate 3.66
    isopentyl acetate 2.45
    trichloroethylene 7.15
    n-nonanol 2.79
    cyclohexanol 2.44
    benzyl alcohol 2.58
    2-ethylhexanol 2.28
    isooctanol 2.28
    dipropyl ether 1.5
    1,2-dichlorobenzene 2.08
    ethyl lactate 2.97
    propylene carbonate 5.36
    n-methylformamide 24.85
    2-pentanol 2.67
    n-pentane 0.35
    1-propoxy-2-propanol 9.46
    1-methoxy-2-propyl acetate 5.89
    2-(2-methoxypropoxy) propanol 13.33
    mesitylene 0.73
    ε-caprolactone 5.44
    p-cymene 1.24
    epichlorohydrin 9.48
    1,1,1-trichloroethane 2.22
    2-aminoethanol 20.02
    morpholine-4-carbaldehyde 27.64
    sulfolane 52.55
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 4.0
    n-hexyl acetate 3.91
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 15.09
    sec-butyl acetate 0.54
    tert-butyl acetate 2.42
    decalin 0.28
    glycerin 30.07
    diglyme 21.84
    acrylic acid 17.59
    isopropyl myristate 1.36
    n-butyric acid 6.56
    acetyl acetate 1.75
    di(2-ethylhexyl) phthalate 3.84
    ethyl propionate 1.18
    nitromethane 18.87
    1,2-diethoxyethane 3.39
    benzonitrile 1.18
    trioctyl phosphate 2.72
    1-bromopropane 1.24
    gamma-valerolactone 13.35
    n-decanol 1.87
    triethyl phosphate 2.68
    4-methyl-2-pentanol 1.73
    propionitrile 1.07
    vinylene carbonate 4.66
    1,1,2-trichlorotrifluoroethane 29.89
    DMS 4.37
    cumene 0.62
    2-octanol 2.07
    2-hexanone 1.13
    octyl acetate 2.14
    limonene 1.85
    1,2-dimethoxyethane 8.57
    ethyl orthosilicate 2.32
    tributyl phosphate 2.93
    diacetone alcohol 8.28
    N,N-dimethylaniline 2.14
    acrylonitrile 2.17
    aniline 1.81
    1,3-propanediol 16.71
    bromobenzene 0.65
    dibromomethane 2.76
    1,1,2,2-tetrachloroethane 8.49
    2-methyl-cyclohexyl acetate 2.18
    tetrabutyl urea 5.02
    diisobutyl methanol 1.94
    2-phenylethanol 4.02
    styrene 0.46
    dioctyl adipate 2.57
    dimethyl sulfate 13.71
    ethyl butyrate 1.73
    methyl lactate 9.79
    butyl lactate 6.73
    diethyl carbonate 1.56
    propanediol butyl ether 12.96
    triethyl orthoformate 2.09
    p-tert-butyltoluene 1.34
    methyl 4-tert-butylbenzoate 9.08
    morpholine 8.22
    tert-butylamine 4.14
    n-dodecanol 1.24
    dimethoxymethane 10.42
    ethylene carbonate 2.73
    cyrene 12.08
    2-ethoxyethyl acetate 5.33
    2-ethylhexyl acetate 1.9
    1,2,4-trichlorobenzene 3.21
    4-methylpyridine 2.03
    dibutyl ether 1.13
    2,6-dimethyl-4-heptanol 1.94
    DEF 7.32
    dimethyl isosorbide 16.94
    tetrachloroethylene 8.97
    eugenol 9.3
    triacetin 5.58
    span 80 10.64
    1,4-butanediol 6.13
    1,1-dichloroethane 1.74
    2-methyl-1-pentanol 2.19
    methyl formate 12.72
    2-methyl-1-butanol 3.42
    n-decane 0.22
    butyronitrile 0.79
    3,7-dimethyl-1-octanol 2.62
    1-chlorooctane 0.86
    1-chlorotetradecane 0.34
    n-nonane 0.21
    undecane 0.16
    tert-butylcyclohexane 0.27
    cyclooctane 0.19
    cyclopentanol 4.09
    tetrahydropyran 1.82
    tert-amyl methyl ether 3.18
    2,5,8-trioxanonane 16.63
    1-hexene 0.69
    2-isopropoxyethanol 4.68
    2,2,2-trifluoroethanol 13.88
    methyl butyrate 1.45

    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