Cyclohexanol, 3,3,5-trimethyl-, 1-formate

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  • Identifiers

    CAS number
    24442-68-0

    Molecular formula
    C10H18O2

    SMILES
    CC1CC(CC(C1)(C)C)OC=O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 76.06%
    Fruity 67.04%
    Green 66.96%
    Mint 59.83%
    Fresh 56.72%
    Woody 54.29%
    Floral 53.08%
    Sweet 48.54%
    Spicy 45.26%
    Cooling 42.26%

     

    Flavor
    Herbal 59.41%
    Fruity 53.36%
    Sweet 52.88%
    Woody 50.98%
    Green 45.64%
    Minty 36.13%
    Spicy 35.57%
    Camphor 35.06%
    Musty 34.49%
    Earthy 33.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.58 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 77.62 ˚C est.

  • Synonyms

    • 24442-68-0
    • Cyclohexanol, 3,3,5-trimethyl-, 1-formate
    • Cyclohexanol, 3,3,5-trimethyl-, formate
    • EINECS 246-250-6
    • DTXSID70885265
    • RefChem:129627
    • DTXCID801024655
    • 3,3,5-Trimethylcyclohexyl formate
    • SCHEMBL272820
    • SCHEMBL11240381
    • MTZUWXFUKUHVMV-UHFFFAOYSA-N
    • NS00049839
    • 24442-68-0

  • Applications

    Cyclohexanol, 3,3,5-trimethyl-, 1-formate (CAS 24442-68-0) is primarily used as an odorant and fragrance intermediate in the fragrance and cosmetics industries, and may serve as a fixative in perfume formulations. It is also used as a solvent or processing aid in coatings, inks, and cleaners, and can act as an intermediate in the synthesis of fragrance ingredients or specialty chemicals for plastics and rubber. In cosmetics and personal care, it can function as a fragrance component or solvent; in household cleaning products, it may appear as an odorant or solvent. Additionally, it can be considered as a chemical intermediate in the manufacture of specialty chemicals or as a processing aid in polymer formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 899.32
    methanol 896.1
    isopropanol 679.67
    water 1.61
    ethyl acetate 1156.15
    n-propanol 731.88
    acetone 1097.2
    n-butanol 647.9
    acetonitrile 794.93
    DMF 882.14
    toluene 353.39
    isobutanol 539.71
    1,4-dioxane 1256.14
    methyl acetate 898.45
    THF 2838.19
    2-butanone 896.35
    n-pentanol 275.34
    sec-butanol 531.18
    n-hexane 61.39
    ethylene glycol 159.33
    NMP 1175.72
    cyclohexane 129.02
    DMSO 845.91
    n-butyl acetate 864.34
    n-octanol 265.54
    chloroform 2080.15
    n-propyl acetate 483.39
    acetic acid 1021.52
    dichloromethane 1833.23
    cyclohexanone 1488.95
    propylene glycol 305.89
    isopropyl acetate 730.91
    DMAc 534.49
    2-ethoxyethanol 366.18
    isopentanol 530.86
    n-heptane 57.2
    ethyl formate 636.28
    1,2-dichloroethane 1138.14
    n-hexanol 800.8
    2-methoxyethanol 885.61
    isobutyl acetate 333.39
    tetrachloromethane 278.66
    n-pentyl acetate 385.2
    transcutol 1890.21
    n-heptanol 251.11
    ethylbenzene 176.62
    MIBK 552.01
    2-propoxyethanol 1091.73
    tert-butanol 765.34
    MTBE 688.22
    2-butoxyethanol 393.44
    propionic acid 850.97
    o-xylene 237.5
    formic acid 322.88
    diethyl ether 674.75
    m-xylene 329.48
    p-xylene 227.86
    chlorobenzene 641.09
    dimethyl carbonate 341.07
    n-octane 23.42
    formamide 331.26
    cyclopentanone 1915.14
    2-pentanone 842.34
    anisole 379.87
    cyclopentyl methyl ether 1109.4
    gamma-butyrolactone 2428.79
    1-methoxy-2-propanol 851.16
    pyridine 763.25
    3-pentanone 554.44
    furfural 1279.6
    n-dodecane 20.1
    diethylene glycol 625.23
    diisopropyl ether 247.64
    tert-amyl alcohol 543.98
    acetylacetone 970.51
    n-hexadecane 23.78
    acetophenone 361.44
    methyl propionate 811.32
    isopentyl acetate 767.78
    trichloroethylene 2107.51
    n-nonanol 219.63
    cyclohexanol 711.75
    benzyl alcohol 283.78
    2-ethylhexanol 380.22
    isooctanol 194.53
    dipropyl ether 383.98
    1,2-dichlorobenzene 594.21
    ethyl lactate 247.22
    propylene carbonate 1246.87
    n-methylformamide 647.4
    2-pentanol 447.82
    n-pentane 66.73
    1-propoxy-2-propanol 754.77
    1-methoxy-2-propyl acetate 919.69
    2-(2-methoxypropoxy) propanol 430.4
    mesitylene 220.55
    ε-caprolactone 1313.69
    p-cymene 174.92
    epichlorohydrin 2157.63
    1,1,1-trichloroethane 1197.23
    2-aminoethanol 348.28
    morpholine-4-carbaldehyde 1011.19
    sulfolane 2071.82
    2,2,4-trimethylpentane 45.94
    2-methyltetrahydrofuran 1695.94
    n-hexyl acetate 669.92
    isooctane 47.77
    2-(2-butoxyethoxy)ethanol 605.67
    sec-butyl acetate 351.02
    tert-butyl acetate 796.37
    decalin 58.16
    glycerin 350.22
    diglyme 914.08
    acrylic acid 671.44
    isopropyl myristate 224.51
    n-butyric acid 1133.39
    acetyl acetate 729.52
    di(2-ethylhexyl) phthalate 207.21
    ethyl propionate 449.87
    nitromethane 1418.02
    1,2-diethoxyethane 548.29
    benzonitrile 487.37
    trioctyl phosphate 165.63
    1-bromopropane 639.08
    gamma-valerolactone 1979.67
    n-decanol 161.27
    triethyl phosphate 188.56
    4-methyl-2-pentanol 294.22
    propionitrile 667.77
    vinylene carbonate 906.7
    1,1,2-trichlorotrifluoroethane 1019.31
    DMS 514.95
    cumene 137.91
    2-octanol 174.01
    2-hexanone 406.84
    octyl acetate 290.21
    limonene 287.65
    1,2-dimethoxyethane 617.26
    ethyl orthosilicate 178.44
    tributyl phosphate 230.72
    diacetone alcohol 782.49
    N,N-dimethylaniline 226.19
    acrylonitrile 716.39
    aniline 451.1
    1,3-propanediol 502.89
    bromobenzene 661.16
    dibromomethane 1153.84
    1,1,2,2-tetrachloroethane 1498.53
    2-methyl-cyclohexyl acetate 386.6
    tetrabutyl urea 242.4
    diisobutyl methanol 215.27
    2-phenylethanol 464.2
    styrene 190.65
    dioctyl adipate 304.94
    dimethyl sulfate 483.55
    ethyl butyrate 472.37
    methyl lactate 386.83
    butyl lactate 350.15
    diethyl carbonate 295.93
    propanediol butyl ether 457.55
    triethyl orthoformate 297.86
    p-tert-butyltoluene 178.98
    methyl 4-tert-butylbenzoate 399.41
    morpholine 1403.27
    tert-butylamine 459.55
    n-dodecanol 120.56
    dimethoxymethane 760.21
    ethylene carbonate 820.48
    cyrene 352.84
    2-ethoxyethyl acetate 528.97
    2-ethylhexyl acetate 548.9
    1,2,4-trichlorobenzene 668.69
    4-methylpyridine 800.78
    dibutyl ether 290.5
    2,6-dimethyl-4-heptanol 215.27
    DEF 632.53
    dimethyl isosorbide 865.93
    tetrachloroethylene 911.73
    eugenol 349.08
    triacetin 509.63
    span 80 412.75
    1,4-butanediol 147.34
    1,1-dichloroethane 1290.03
    2-methyl-1-pentanol 247.34
    methyl formate 599.78
    2-methyl-1-butanol 471.13
    n-decane 35.42
    butyronitrile 751.43
    3,7-dimethyl-1-octanol 288.67
    1-chlorooctane 192.5
    1-chlorotetradecane 68.39
    n-nonane 34.93
    undecane 25.79
    tert-butylcyclohexane 57.06
    cyclooctane 47.0
    cyclopentanol 867.58
    tetrahydropyran 1457.14
    tert-amyl methyl ether 433.06
    2,5,8-trioxanonane 577.39
    1-hexene 215.08
    2-isopropoxyethanol 299.45
    2,2,2-trifluoroethanol 374.64
    methyl butyrate 574.9

    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