Butyl cyclohexyl phthalate

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  • Identifiers

    CAS number
    84-64-0

    Molecular formula
    C18H24O4

    SMILES
    CCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Balsamic 57.8%
    Herbal 57.12%
    Floral 55.56%
    Fruity 44.05%
    Green 39.78%
    Sweet 35.17%
    Odorless 31.27%
    Jasmin 26.48%
    Woody 25.18%
    Winey 25.16%

     

    Flavor
    Bitter 39.02%
    Balsam 29.17%
    Faint 24.88%
    Herbal 23.38%
    Floral 22.62%
    Odorless 21.85%
    Ethyl benzoate 21.69%
    Lovage 21.46%
    Aniseed 20.98%
    Heather 20.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    5.6 (weak acid)

    Molecular weight
    304.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 189-222 °C at 5 mm Hg

    Flash point

    • 177.24 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • Insoluble (<1 mg/ml at 68 °F) (NTP, 1992)
    • Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/
    • Miscible with most organic solvents

  • Synonyms

    • BUTYL CYCLOHEXYL PHTHALATE
    • 84-64-0
    • Cyclohexyl butyl phthalate
    • 1,2-Benzenedicarboxylic acid, butyl cyclohexyl ester
    • Phthalic acid, butyl cyclohexyl ester
    • CCRIS 6189
    • HSDB 4488
    • 1-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate
    • EINECS 201-548-5
    • NSC 69994
    • Elastex 50B
    • UNII-BI70L704B7
    • BI70L704B7
    • NSC-69994
    • DTXSID5024689
    • Phthalic acid, butylcyclohexyl ester
    • 1,2-Benzenedicarboxylic acid, 1-butyl 2-cyclohexyl ester
    • BUTYL CYCLOHEXYL PHTHALATE [HSDB]
    • 1,2-Benzenedicarboxylic acid, butyl cyclohexyl ester (9CI); Phthalic acid, butyl cyclohexyl ester (6CI,7CI,8CI); Butyl cyclohexyl phthalate; Cyclohexyl butyl phthalate; Elastex 50B; NSC 69994
    • MFCD00152312
    • butylcyclohexyl phthalate
    • 1, butyl cyclohexyl ester
    • Butyl cyclohexyl phthalic acid
    • SCHEMBL271491
    • DTXCID604689
    • 1-Butyl 2-cyclohexyl phthalate
    • 1-Butyl 2-cyclohexyl phthalate #
    • NSC69994
    • AKOS028108440
    • DS-3298
    • s10761
    • DB-318966
    • CS-0152099
    • NS00038592
    • Phthalic acid, butyl cyclohexyl ester (8CI)
    • 1-butyl 2-cyclohexyl benzene-1,2-dicarboxylate
    • 1,2-Benzenedicarboxylic acid butyl cyclohexyl ester
    • 1,2Benzenedicarboxylic acid, butyl cyclohexyl ester
    • Q27274675
    • 1,2-Benzenedicarboxylic acid 1-butyl 2-cyclohexyl ester
    • 201-548-5

  • Applications

    Butyl cyclohexyl phthalate (CAS 84-64-0) is primarily used as a plasticizer for PVC and other polymers, providing flexibility and reducing brittleness in finished products. It is also employed as a component in coatings, paints, laminates, and other finishes to improve flexibility and adhesion. In adhesive and sealant formulations, it acts as a plasticizing additive that enhances compatibility and processability. Additionally, it can function as a solvent or carrier within polymer formulations and is commonly evaluated as an intermediate in related chemical syntheses for coatings and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 752.24
    methanol 850.18
    isopropanol 382.77
    water 0.21
    ethyl acetate 2190.64
    n-propanol 702.69
    acetone 2079.1
    n-butanol 636.27
    acetonitrile 1833.91
    DMF 4036.65
    toluene 2031.57
    isobutanol 478.65
    1,4-dioxane 1191.05
    methyl acetate 1899.19
    THF 1874.28
    2-butanone 2371.26
    n-pentanol 359.88
    sec-butanol 590.33
    n-hexane 46.36
    ethylene glycol 65.01
    NMP 3576.88
    cyclohexane 166.94
    DMSO 2034.87
    n-butyl acetate 1032.15
    n-octanol 133.83
    chloroform 5110.56
    n-propyl acetate 973.65
    acetic acid 956.74
    dichloromethane 6058.0
    cyclohexanone 3323.25
    propylene glycol 111.68
    isopropyl acetate 1238.71
    DMAc 4001.12
    2-ethoxyethanol 659.84
    isopentanol 592.14
    n-heptane 15.61
    ethyl formate 831.75
    1,2-dichloroethane 5342.83
    n-hexanol 315.97
    2-methoxyethanol 1189.14
    isobutyl acetate 515.69
    tetrachloromethane 367.15
    n-pentyl acetate 551.84
    transcutol 2157.02
    n-heptanol 149.7
    ethylbenzene 584.05
    MIBK 928.71
    2-propoxyethanol 739.85
    tert-butanol 423.07
    MTBE 803.57
    2-butoxyethanol 443.17
    propionic acid 830.38
    o-xylene 774.47
    formic acid 270.73
    diethyl ether 1148.32
    m-xylene 742.04
    p-xylene 709.98
    chlorobenzene 2525.63
    dimethyl carbonate 825.04
    n-octane 10.41
    formamide 898.18
    cyclopentanone 3209.14
    2-pentanone 1905.83
    anisole 1185.66
    cyclopentyl methyl ether 1443.12
    gamma-butyrolactone 3109.41
    1-methoxy-2-propanol 835.52
    pyridine 4000.28
    3-pentanone 1746.44
    furfural 2765.86
    n-dodecane 10.05
    diethylene glycol 375.06
    diisopropyl ether 257.33
    tert-amyl alcohol 553.69
    acetylacetone 2015.03
    n-hexadecane 12.24
    acetophenone 1231.9
    methyl propionate 1952.59
    isopentyl acetate 887.57
    trichloroethylene 8895.94
    n-nonanol 131.27
    cyclohexanol 871.62
    benzyl alcohol 818.05
    2-ethylhexanol 215.44
    isooctanol 138.82
    dipropyl ether 265.19
    1,2-dichlorobenzene 2021.62
    ethyl lactate 349.77
    propylene carbonate 1642.91
    n-methylformamide 1534.38
    2-pentanol 450.14
    n-pentane 51.89
    1-propoxy-2-propanol 461.65
    1-methoxy-2-propyl acetate 942.79
    2-(2-methoxypropoxy) propanol 427.47
    mesitylene 327.78
    ε-caprolactone 2596.27
    p-cymene 175.47
    epichlorohydrin 4529.12
    1,1,1-trichloroethane 3026.41
    2-aminoethanol 245.41
    morpholine-4-carbaldehyde 2194.42
    sulfolane 2878.71
    2,2,4-trimethylpentane 36.8
    2-methyltetrahydrofuran 1839.16
    n-hexyl acetate 627.62
    isooctane 21.79
    2-(2-butoxyethoxy)ethanol 595.4
    sec-butyl acetate 720.24
    tert-butyl acetate 1032.55
    decalin 80.31
    glycerin 167.08
    diglyme 1324.53
    acrylic acid 756.17
    isopropyl myristate 201.21
    n-butyric acid 1272.03
    acetyl acetate 1228.24
    di(2-ethylhexyl) phthalate 205.14
    ethyl propionate 982.03
    nitromethane 2869.13
    1,2-diethoxyethane 875.53
    benzonitrile 1424.09
    trioctyl phosphate 123.0
    1-bromopropane 2287.92
    gamma-valerolactone 3494.93
    n-decanol 91.3
    triethyl phosphate 258.87
    4-methyl-2-pentanol 241.21
    propionitrile 1488.12
    vinylene carbonate 1552.13
    1,1,2-trichlorotrifluoroethane 1842.75
    DMS 822.59
    cumene 274.87
    2-octanol 109.7
    2-hexanone 898.01
    octyl acetate 269.06
    limonene 274.6
    1,2-dimethoxyethane 1296.58
    ethyl orthosilicate 220.5
    tributyl phosphate 195.0
    diacetone alcohol 840.18
    N,N-dimethylaniline 623.46
    acrylonitrile 2236.71
    aniline 1745.09
    1,3-propanediol 433.07
    bromobenzene 2835.93
    dibromomethane 3785.35
    1,1,2,2-tetrachloroethane 6401.62
    2-methyl-cyclohexyl acetate 420.78
    tetrabutyl urea 263.83
    diisobutyl methanol 126.83
    2-phenylethanol 581.96
    styrene 944.03
    dioctyl adipate 318.28
    dimethyl sulfate 1146.19
    ethyl butyrate 619.29
    methyl lactate 576.37
    butyl lactate 377.06
    diethyl carbonate 415.13
    propanediol butyl ether 306.53
    triethyl orthoformate 337.85
    p-tert-butyltoluene 154.25
    methyl 4-tert-butylbenzoate 516.51
    morpholine 2028.57
    tert-butylamine 274.74
    n-dodecanol 69.24
    dimethoxymethane 1668.78
    ethylene carbonate 1303.63
    cyrene 473.12
    2-ethoxyethyl acetate 871.89
    2-ethylhexyl acetate 666.43
    1,2,4-trichlorobenzene 2232.17
    4-methylpyridine 4239.2
    dibutyl ether 286.93
    2,6-dimethyl-4-heptanol 126.83
    DEF 2830.77
    dimethyl isosorbide 795.87
    tetrachloroethylene 3436.45
    eugenol 489.71
    triacetin 600.26
    span 80 325.87
    1,4-butanediol 132.73
    1,1-dichloroethane 3907.07
    2-methyl-1-pentanol 443.62
    methyl formate 927.03
    2-methyl-1-butanol 688.86
    n-decane 15.82
    butyronitrile 1203.48
    3,7-dimethyl-1-octanol 184.29
    1-chlorooctane 150.8
    1-chlorotetradecane 54.36
    n-nonane 13.38
    undecane 11.97
    tert-butylcyclohexane 48.4
    cyclooctane 38.46
    cyclopentanol 700.57
    tetrahydropyran 1721.69
    tert-amyl methyl ether 755.05
    2,5,8-trioxanonane 778.73
    1-hexene 314.44
    2-isopropoxyethanol 454.65
    2,2,2-trifluoroethanol 365.07
    methyl butyrate 1359.6

    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