1,4-Dicyclohexyl butanedioate

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  • Identifiers

    CAS number
    965-40-2

    Molecular formula
    C16H26O4

    SMILES
    C1CCC(CC1)OC(=O)CCC(=O)OC2CCCCC2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 80.02%
    Sweet 47.34%
    Oily 39.5%
    Winey 38.0%
    Herbal 36.88%
    Peach 34.06%
    Pineapple 31.58%
    Fatty 31.1%
    Apple 30.79%
    Green 28.53%

     

    Flavor
    Fruity 56.08%
    Fruit 33.52%
    Pineapple 29.94%
    Cheese 28.87%
    Fatty 26.27%
    Mild 24.3%
    Wine 24.07%
    Bitter 23.94%
    Berry 23.49%
    Yeast 22.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.67 (neutral)

    Molecular weight
    282.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 174.55 ˚C est.

  • Synonyms

    • Dicyclohexyl succinate
    • Succinic acid dicyclohexyl ester
    • 965-40-2
    • DTXSID30242279
    • RefChem:906969
    • 1,4-Dicyclohexyl butanedioate
    • DTXCID80164770
    • butanedioic acid dicyclohexyl ester
    • dicyclohexyl butanedioate
    • BRN 2289111
    • AI3-03887
    • Succinic acid, dicyclohexyl ester
    • Butanedioic acid, dicyclohexyl ester
    • SCHEMBL258780
    • WWQSMJYMCWMODI-UHFFFAOYSA-N
    • Succinic acid, di(cyclohexyl) ester
    • NSC406609
    • NSC 406609
    • NSC-406609
    • 965-40-2

  • Applications

    1,4-Dicyclohexyl butanedioate (CAS 965-40-2) is primarily used as a plasticizer and a synthetic building block for polymer systems, helping to increase flexibility and softness of PVC and polyester resins; it is also employed as an additive in coatings and paints to improve processability and flexibility, and as a diester-derived intermediate for further polyester synthesis; in other industrial applications it can appear as an intermediate in the manufacture of coatings, inks, and adhesives, aligned with processing requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.6
    methanol 40.02
    isopropanol 33.36
    water 0.11
    ethyl acetate 271.03
    n-propanol 33.76
    acetone 300.46
    n-butanol 34.26
    acetonitrile 222.7
    DMF 608.28
    toluene 157.85
    isobutanol 31.78
    1,4-dioxane 249.1
    methyl acetate 301.11
    THF 652.77
    2-butanone 284.61
    n-pentanol 37.47
    sec-butanol 40.2
    n-hexane 9.58
    ethylene glycol 6.81
    NMP 868.66
    cyclohexane 16.75
    DMSO 804.29
    n-butyl acetate 233.54
    n-octanol 35.07
    chloroform 1340.83
    n-propyl acetate 235.92
    acetic acid 172.55
    dichloromethane 1522.51
    cyclohexanone 516.71
    propylene glycol 14.46
    isopropyl acetate 203.29
    DMAc 901.61
    2-ethoxyethanol 119.39
    isopentanol 45.59
    n-heptane 4.82
    ethyl formate 174.42
    1,2-dichloroethane 817.49
    n-hexanol 34.95
    2-methoxyethanol 156.19
    isobutyl acetate 138.71
    tetrachloromethane 110.46
    n-pentyl acetate 178.96
    transcutol 599.59
    n-heptanol 27.14
    ethylbenzene 91.47
    MIBK 148.55
    2-propoxyethanol 124.23
    tert-butanol 58.05
    MTBE 112.04
    2-butoxyethanol 103.58
    propionic acid 139.16
    o-xylene 111.37
    formic acid 51.41
    diethyl ether 96.13
    m-xylene 91.12
    p-xylene 135.06
    chlorobenzene 367.02
    dimethyl carbonate 140.6
    n-octane 3.3
    formamide 144.66
    cyclopentanone 793.57
    2-pentanone 209.04
    anisole 217.99
    cyclopentyl methyl ether 230.42
    gamma-butyrolactone 1084.66
    1-methoxy-2-propanol 136.59
    pyridine 461.02
    3-pentanone 205.68
    furfural 898.28
    n-dodecane 3.41
    diethylene glycol 77.75
    diisopropyl ether 41.56
    tert-amyl alcohol 66.75
    acetylacetone 452.6
    n-hexadecane 4.22
    acetophenone 306.29
    methyl propionate 234.99
    isopentyl acetate 208.92
    trichloroethylene 1647.31
    n-nonanol 36.33
    cyclohexanol 71.67
    benzyl alcohol 140.88
    2-ethylhexanol 39.42
    isooctanol 27.59
    dipropyl ether 68.64
    1,2-dichlorobenzene 413.99
    ethyl lactate 107.56
    propylene carbonate 573.19
    n-methylformamide 214.12
    2-pentanol 31.89
    n-pentane 4.31
    1-propoxy-2-propanol 112.5
    1-methoxy-2-propyl acetate 242.52
    2-(2-methoxypropoxy) propanol 161.9
    mesitylene 57.92
    ε-caprolactone 509.6
    p-cymene 52.31
    epichlorohydrin 959.22
    1,1,1-trichloroethane 632.13
    2-aminoethanol 20.83
    morpholine-4-carbaldehyde 577.98
    sulfolane 1324.79
    2,2,4-trimethylpentane 6.55
    2-methyltetrahydrofuran 359.08
    n-hexyl acetate 204.37
    isooctane 3.64
    2-(2-butoxyethoxy)ethanol 190.58
    sec-butyl acetate 163.11
    tert-butyl acetate 216.61
    decalin 17.25
    glycerin 37.06
    diglyme 449.29
    acrylic acid 153.11
    isopropyl myristate 73.52
    n-butyric acid 188.49
    acetyl acetate 297.02
    di(2-ethylhexyl) phthalate 84.98
    ethyl propionate 215.39
    nitromethane 613.44
    1,2-diethoxyethane 216.37
    benzonitrile 283.12
    trioctyl phosphate 48.83
    1-bromopropane 251.83
    gamma-valerolactone 872.21
    n-decanol 25.44
    triethyl phosphate 126.76
    4-methyl-2-pentanol 28.97
    propionitrile 125.49
    vinylene carbonate 480.79
    1,1,2-trichlorotrifluoroethane 559.78
    DMS 267.5
    cumene 58.87
    2-octanol 25.49
    2-hexanone 184.94
    octyl acetate 95.42
    limonene 67.25
    1,2-dimethoxyethane 336.65
    ethyl orthosilicate 102.8
    tributyl phosphate 88.56
    diacetone alcohol 177.68
    N,N-dimethylaniline 139.28
    acrylonitrile 222.07
    aniline 164.38
    1,3-propanediol 43.47
    bromobenzene 464.21
    dibromomethane 808.03
    1,1,2,2-tetrachloroethane 1318.82
    2-methyl-cyclohexyl acetate 159.38
    tetrabutyl urea 108.98
    diisobutyl methanol 31.48
    2-phenylethanol 104.91
    styrene 137.62
    dioctyl adipate 143.43
    dimethyl sulfate 365.96
    ethyl butyrate 189.77
    methyl lactate 121.32
    butyl lactate 139.05
    diethyl carbonate 157.89
    propanediol butyl ether 99.4
    triethyl orthoformate 138.29
    p-tert-butyltoluene 47.23
    methyl 4-tert-butylbenzoate 202.24
    morpholine 283.68
    tert-butylamine 35.23
    n-dodecanol 19.1
    dimethoxymethane 234.97
    ethylene carbonate 368.33
    cyrene 182.21
    2-ethoxyethyl acetate 281.15
    2-ethylhexyl acetate 172.81
    1,2,4-trichlorobenzene 527.55
    4-methylpyridine 486.42
    dibutyl ether 85.66
    2,6-dimethyl-4-heptanol 31.48
    DEF 323.02
    dimethyl isosorbide 374.0
    tetrachloroethylene 694.01
    eugenol 171.43
    triacetin 294.2
    span 80 124.34
    1,4-butanediol 21.55
    1,1-dichloroethane 594.37
    2-methyl-1-pentanol 50.25
    methyl formate 181.42
    2-methyl-1-butanol 41.38
    n-decane 5.93
    butyronitrile 111.77
    3,7-dimethyl-1-octanol 47.22
    1-chlorooctane 42.26
    1-chlorotetradecane 16.5
    n-nonane 5.04
    undecane 4.25
    tert-butylcyclohexane 12.52
    cyclooctane 5.99
    cyclopentanol 102.41
    tetrahydropyran 223.31
    tert-amyl methyl ether 102.29
    2,5,8-trioxanonane 303.67
    1-hexene 41.28
    2-isopropoxyethanol 94.9
    2,2,2-trifluoroethanol 119.76
    methyl butyrate 294.65

    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