1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester

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  • Identifiers

    CAS number
    1322-94-7

    Molecular formula
    C16H20O4

    SMILES
    CC1(CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 52.09%
    Herbal 41.67%
    Odorless 36.73%
    Floral 35.18%
    Sweet 32.32%
    Green 31.47%
    Phenolic 29.54%
    Animal 28.96%
    Fruity 28.96%
    Aromatic 27.26%

     

    Flavor
    Bitter 36.71%
    Balsam 31.93%
    Odorless 30.15%
    Sweet 29.73%
    Powdery 27.97%
    Faint 27.58%
    Herbal 26.69%
    Wintergreen 23.38%
    Woody 22.44%
    Ethyl benzoate 21.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    5.34 (weak acid)

    Molecular weight
    276.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 193.24 ˚C est.

  • Synonyms

    • 1,2-Benzenedicarboxylic acid, mono(dimethylcyclohexyl) ester
    • (Dimethylcyclohexyl) hydrogen phthalate
    • EINECS 215-344-9
    • 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester
    • RefChem:411123
    • 215-344-9
    • 1322-94-7
    • 2-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid
    • 2-{[(4,4-dimethylcyclohexyl)oxy]carbonyl}benzoic acid
    • SCHEMBL30183027
    • DTXSID20862627
    • GPIZVEQCOQOIPD-UHFFFAOYSA-N
    • Dimethylcyclohexyl) hydrogen phthalate
    • DB-215115
    • 1322-94-7

  • Applications

    1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester (CAS 1322-94-7) is a phthalic acid ester used mainly as a plasticizer and processing aid in plastics and coatings. In industrial practice it is commonly employed as a plasticizer for PVC and other polymers to improve film and coating flexibility; as a processing aid in coatings, inks, and adhesives to enhance handling and performance; as an intermediate in organic synthesis and can act as a solvent or co-solvent in manufacturing; in the electronics sector it may be used in flexible encapsulants or insulating layers; and it may be formulated in specialty blends to tailor processing properties, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 922.61
    methanol 923.38
    isopropanol 457.65
    water 0.1
    ethyl acetate 501.79
    n-propanol 892.15
    acetone 471.57
    n-butanol 617.14
    acetonitrile 289.69
    DMF 1766.75
    toluene 236.3
    isobutanol 446.84
    1,4-dioxane 365.49
    methyl acetate 579.93
    THF 971.86
    2-butanone 927.02
    n-pentanol 320.86
    sec-butanol 610.63
    n-hexane 8.49
    ethylene glycol 58.57
    NMP 597.41
    cyclohexane 10.43
    DMSO 706.07
    n-butyl acetate 278.03
    n-octanol 64.19
    chloroform 729.68
    n-propyl acetate 251.01
    acetic acid 219.97
    dichloromethane 636.49
    cyclohexanone 480.1
    propylene glycol 147.94
    isopropyl acetate 284.82
    DMAc 1752.09
    2-ethoxyethanol 480.3
    isopentanol 414.81
    n-heptane 3.28
    ethyl formate 201.18
    1,2-dichloroethane 622.9
    n-hexanol 268.88
    2-methoxyethanol 942.02
    isobutyl acetate 139.44
    tetrachloromethane 33.09
    n-pentyl acetate 116.01
    transcutol 808.03
    n-heptanol 91.67
    ethylbenzene 128.96
    MIBK 275.72
    2-propoxyethanol 514.82
    tert-butanol 425.3
    MTBE 448.07
    2-butoxyethanol 230.84
    propionic acid 270.86
    o-xylene 121.22
    formic acid 111.98
    diethyl ether 461.7
    m-xylene 124.29
    p-xylene 122.97
    chlorobenzene 225.39
    dimethyl carbonate 182.92
    n-octane 2.27
    formamide 325.93
    cyclopentanone 624.52
    2-pentanone 579.27
    anisole 358.08
    cyclopentyl methyl ether 386.72
    gamma-butyrolactone 526.15
    1-methoxy-2-propanol 677.09
    pyridine 620.18
    3-pentanone 432.26
    furfural 346.88
    n-dodecane 2.02
    diethylene glycol 245.68
    diisopropyl ether 77.29
    tert-amyl alcohol 516.5
    acetylacetone 315.99
    n-hexadecane 2.38
    acetophenone 271.78
    methyl propionate 571.74
    isopentyl acetate 268.0
    trichloroethylene 934.65
    n-nonanol 64.28
    cyclohexanol 255.15
    benzyl alcohol 271.33
    2-ethylhexanol 110.61
    isooctanol 73.33
    dipropyl ether 102.03
    1,2-dichlorobenzene 174.6
    ethyl lactate 124.53
    propylene carbonate 227.49
    n-methylformamide 728.27
    2-pentanol 329.45
    n-pentane 10.26
    1-propoxy-2-propanol 297.11
    1-methoxy-2-propyl acetate 325.52
    2-(2-methoxypropoxy) propanol 214.27
    mesitylene 53.27
    ε-caprolactone 409.87
    p-cymene 39.23
    epichlorohydrin 993.73
    1,1,1-trichloroethane 303.85
    2-aminoethanol 312.9
    morpholine-4-carbaldehyde 605.22
    sulfolane 440.66
    2,2,4-trimethylpentane 8.84
    2-methyltetrahydrofuran 678.97
    n-hexyl acetate 149.49
    isooctane 5.82
    2-(2-butoxyethoxy)ethanol 303.59
    sec-butyl acetate 201.28
    tert-butyl acetate 297.4
    decalin 9.5
    glycerin 138.74
    diglyme 487.58
    acrylic acid 176.12
    isopropyl myristate 56.04
    n-butyric acid 383.12
    acetyl acetate 145.12
    di(2-ethylhexyl) phthalate 54.22
    ethyl propionate 259.2
    nitromethane 452.28
    1,2-diethoxyethane 259.54
    benzonitrile 195.44
    trioctyl phosphate 38.22
    1-bromopropane 414.95
    gamma-valerolactone 726.22
    n-decanol 46.83
    triethyl phosphate 66.88
    4-methyl-2-pentanol 155.77
    propionitrile 418.6
    vinylene carbonate 196.85
    1,1,2-trichlorotrifluoroethane 387.58
    DMS 167.2
    cumene 66.52
    2-octanol 50.36
    2-hexanone 296.03
    octyl acetate 78.38
    limonene 56.01
    1,2-dimethoxyethane 565.33
    ethyl orthosilicate 65.85
    tributyl phosphate 52.04
    diacetone alcohol 389.59
    N,N-dimethylaniline 211.1
    acrylonitrile 462.07
    aniline 361.22
    1,3-propanediol 376.8
    bromobenzene 200.97
    dibromomethane 433.58
    1,1,2,2-tetrachloroethane 826.8
    2-methyl-cyclohexyl acetate 117.93
    tetrabutyl urea 74.67
    diisobutyl methanol 54.58
    2-phenylethanol 220.49
    styrene 156.27
    dioctyl adipate 77.44
    dimethyl sulfate 227.37
    ethyl butyrate 152.65
    methyl lactate 211.24
    butyl lactate 113.62
    diethyl carbonate 90.08
    propanediol butyl ether 152.19
    triethyl orthoformate 94.66
    p-tert-butyltoluene 39.11
    methyl 4-tert-butylbenzoate 142.38
    morpholine 832.4
    tert-butylamine 212.38
    n-dodecanol 32.33
    dimethoxymethane 772.06
    ethylene carbonate 168.37
    cyrene 176.86
    2-ethoxyethyl acetate 205.31
    2-ethylhexyl acetate 187.04
    1,2,4-trichlorobenzene 205.84
    4-methylpyridine 683.41
    dibutyl ether 74.93
    2,6-dimethyl-4-heptanol 54.58
    DEF 646.21
    dimethyl isosorbide 322.69
    tetrachloroethylene 336.25
    eugenol 150.7
    triacetin 124.48
    span 80 128.03
    1,4-butanediol 112.46
    1,1-dichloroethane 546.1
    2-methyl-1-pentanol 283.93
    methyl formate 272.48
    2-methyl-1-butanol 493.34
    n-decane 3.35
    butyronitrile 345.06
    3,7-dimethyl-1-octanol 87.75
    1-chlorooctane 32.58
    1-chlorotetradecane 11.77
    n-nonane 2.73
    undecane 2.51
    tert-butylcyclohexane 9.51
    cyclooctane 3.43
    cyclopentanol 266.62
    tetrahydropyran 554.14
    tert-amyl methyl ether 398.6
    2,5,8-trioxanonane 324.44
    1-hexene 87.51
    2-isopropoxyethanol 305.12
    2,2,2-trifluoroethanol 62.64
    methyl butyrate 342.5

    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