Cyclohexanediol dicaprylate

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  • Identifiers

    CAS number
    79455-20-2

    Molecular formula
    C22H40O4

    SMILES
    CCCCCCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 61.82%
    Oily 55.71%
    Peach 43.86%
    Fatty 42.47%
    Lactonic 41.62%
    Green 37.47%
    Winey 36.34%
    Waxy 35.77%
    Herbal 35.66%
    Floral 33.27%

     

    Flavor
    Waxy 50.99%
    Oily 50.41%
    Fatty 44.83%
    Fruity 44.62%
    Creamy 35.74%
    Mild 30.1%
    Coconut 29.58%
    Soapy 29.53%
    Cheese 27.97%
    Sweet 27.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    6.82 (neutral)

    Molecular weight
    368.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    401°C

    Flash point

    • 187.44 ˚C est.

  • Synonyms

    • Cyclohexanediol dicaprylate
    • Melatein X-3
    • UNII-BZF81L3PHS
    • BZF81L3PHS
    • Cyclohexanediol dicaprylate [INCI]
    • trans-1,2-Bis-octanoyloxy-cyclohexyl ester
    • 79455-20-2
    • Octanoic acid, 1,1'-(1R,2R)-1,2-cyclohexanediyl ester, rel-
    • DTXSID60229694
    • RefChem:129575
    • DTXCID10152185
    • OCTANOIC ACID, 1,2-CYCLOHEXANEDIYL ESTER, TRANS-(+-)-
    • Octanoic acid, 1,2-cyclohexanediyl ester, trans-(+/-)-
    • SCHEMBL3171692
    • ZZXQJVZDWCYXRS-WOJBJXKFSA-N
    • (1R,2R)-Cyclohexane-1,2-diyl dioctanoate
    • Q27274981
    • 79455-20-2

  • Applications

    Cyclohexanediol dicaprylate (CAS 79455-20-2) is a lipophilic diester commonly used as an emollient and solvent in cosmetics and personal care; as a carrier solvent for fragrances in perfumery formulations; as a plasticizer or co-solvent for polymers and coatings; as a solvent or diluent in paints, inks, and industrial coatings; and as a slip agent or solvent component in cleaning and household products. Its specific use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 187.57
    methanol 193.03
    isopropanol 208.11
    water 0.57
    ethyl acetate 1263.34
    n-propanol 238.41
    acetone 1072.84
    n-butanol 262.88
    acetonitrile 600.16
    DMF 1197.78
    toluene 614.25
    isobutanol 253.29
    1,4-dioxane 868.86
    methyl acetate 938.14
    THF 1778.18
    2-butanone 1101.91
    n-pentanol 221.81
    sec-butanol 302.39
    n-hexane 68.29
    ethylene glycol 19.95
    NMP 2398.67
    cyclohexane 278.33
    DMSO 1265.89
    n-butyl acetate 917.45
    n-octanol 194.51
    chloroform 2872.3
    n-propyl acetate 1016.32
    acetic acid 586.97
    dichloromethane 3472.66
    cyclohexanone 2610.74
    propylene glycol 46.79
    isopropyl acetate 1055.24
    DMAc 2138.99
    2-ethoxyethanol 412.12
    isopentanol 317.4
    n-heptane 37.34
    ethyl formate 558.29
    1,2-dichloroethane 2414.91
    n-hexanol 182.32
    2-methoxyethanol 448.64
    isobutyl acetate 602.28
    tetrachloromethane 546.69
    n-pentyl acetate 1142.07
    transcutol 1635.74
    n-heptanol 174.58
    ethylbenzene 314.12
    MIBK 793.6
    2-propoxyethanol 401.24
    tert-butanol 312.91
    MTBE 626.94
    2-butoxyethanol 473.33
    propionic acid 489.52
    o-xylene 451.24
    formic acid 126.22
    diethyl ether 549.65
    m-xylene 361.22
    p-xylene 490.73
    chlorobenzene 1168.19
    dimethyl carbonate 403.18
    n-octane 24.92
    formamide 303.08
    cyclopentanone 2255.98
    2-pentanone 1079.96
    anisole 587.6
    cyclopentyl methyl ether 1080.5
    gamma-butyrolactone 2433.77
    1-methoxy-2-propanol 437.18
    pyridine 1435.22
    3-pentanone 1003.81
    furfural 1752.31
    n-dodecane 18.62
    diethylene glycol 186.27
    diisopropyl ether 236.63
    tert-amyl alcohol 413.16
    acetylacetone 1439.74
    n-hexadecane 22.97
    acetophenone 841.22
    methyl propionate 896.33
    isopentyl acetate 933.65
    trichloroethylene 3812.21
    n-nonanol 189.26
    cyclohexanol 599.9
    benzyl alcohol 401.0
    2-ethylhexanol 195.74
    isooctanol 177.91
    dipropyl ether 333.35
    1,2-dichlorobenzene 1251.4
    ethyl lactate 320.35
    propylene carbonate 1467.04
    n-methylformamide 506.57
    2-pentanol 249.68
    n-pentane 51.11
    1-propoxy-2-propanol 385.17
    1-methoxy-2-propyl acetate 788.92
    2-(2-methoxypropoxy) propanol 428.49
    mesitylene 245.36
    ε-caprolactone 2262.52
    p-cymene 183.3
    epichlorohydrin 2307.85
    1,1,1-trichloroethane 2179.88
    2-aminoethanol 74.38
    morpholine-4-carbaldehyde 1480.09
    sulfolane 2829.56
    2,2,4-trimethylpentane 52.42
    2-methyltetrahydrofuran 1555.49
    n-hexyl acetate 1032.03
    isooctane 25.23
    2-(2-butoxyethoxy)ethanol 557.98
    sec-butyl acetate 769.1
    tert-butyl acetate 1034.14
    decalin 110.82
    glycerin 83.1
    diglyme 1359.65
    acrylic acid 390.31
    isopropyl myristate 295.96
    n-butyric acid 954.97
    acetyl acetate 977.87
    di(2-ethylhexyl) phthalate 271.48
    ethyl propionate 915.13
    nitromethane 1412.12
    1,2-diethoxyethane 854.34
    benzonitrile 734.0
    trioctyl phosphate 184.95
    1-bromopropane 1160.29
    gamma-valerolactone 2640.55
    n-decanol 120.9
    triethyl phosphate 360.46
    4-methyl-2-pentanol 176.33
    propionitrile 537.8
    vinylene carbonate 1179.55
    1,1,2-trichlorotrifluoroethane 1225.37
    DMS 751.68
    cumene 204.02
    2-octanol 172.87
    2-hexanone 761.37
    octyl acetate 388.33
    limonene 311.81
    1,2-dimethoxyethane 1001.23
    ethyl orthosilicate 334.94
    tributyl phosphate 278.6
    diacetone alcohol 721.88
    N,N-dimethylaniline 384.08
    acrylonitrile 606.43
    aniline 550.81
    1,3-propanediol 170.98
    bromobenzene 1367.96
    dibromomethane 2104.22
    1,1,2,2-tetrachloroethane 3121.23
    2-methyl-cyclohexyl acetate 559.87
    tetrabutyl urea 369.61
    diisobutyl methanol 136.23
    2-phenylethanol 330.6
    styrene 433.0
    dioctyl adipate 481.88
    dimethyl sulfate 782.18
    ethyl butyrate 719.33
    methyl lactate 337.4
    butyl lactate 585.35
    diethyl carbonate 461.41
    propanediol butyl ether 337.29
    triethyl orthoformate 475.69
    p-tert-butyltoluene 163.35
    methyl 4-tert-butylbenzoate 671.72
    morpholine 1115.46
    tert-butylamine 209.99
    n-dodecanol 86.28
    dimethoxymethane 670.68
    ethylene carbonate 1118.65
    cyrene 455.26
    2-ethoxyethyl acetate 1262.91
    2-ethylhexyl acetate 783.04
    1,2,4-trichlorobenzene 1422.7
    4-methylpyridine 1503.16
    dibutyl ether 460.74
    2,6-dimethyl-4-heptanol 136.23
    DEF 1430.53
    dimethyl isosorbide 863.94
    tetrachloroethylene 2029.37
    eugenol 493.35
    triacetin 953.83
    span 80 385.98
    1,4-butanediol 85.91
    1,1-dichloroethane 1970.65
    2-methyl-1-pentanol 286.47
    methyl formate 395.78
    2-methyl-1-butanol 322.15
    n-decane 38.2
    butyronitrile 599.46
    3,7-dimethyl-1-octanol 215.21
    1-chlorooctane 252.34
    1-chlorotetradecane 77.85
    n-nonane 34.4
    undecane 24.81
    tert-butylcyclohexane 68.05
    cyclooctane 65.09
    cyclopentanol 554.96
    tetrahydropyran 1255.68
    tert-amyl methyl ether 589.11
    2,5,8-trioxanonane 747.74
    1-hexene 241.61
    2-isopropoxyethanol 358.51
    2,2,2-trifluoroethanol 334.18
    methyl butyrate 1279.31

    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