Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-formate

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  • Identifiers

    CAS number
    67874-73-1

    Molecular formula
    C12H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.11%
    Green 61.97%
    Herbal 56.68%
    Fresh 50.03%
    Floral 48.39%
    Dry 42.53%
    Spicy 40.95%
    Pine 38.54%
    Amber 36.12%
    Balsamic 33.89%

     

    Flavor
    Green 68.62%
    Herbal 45.26%
    Woody 36.88%
    Fresh 35.1%
    Fruity 34.6%
    Floral 33.02%
    Earthy 32.5%
    Bitter 31.02%
    Waxy 30.88%
    Musty 29.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.21 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point

    • 99.21 ˚C est.

  • Synonyms

    • 4-tert-Amylcyclohexyl formate
    • EINECS 267-501-6
    • 67874-73-1
    • Cyclohexanol, 4-(1,1-dimethylpropyl)-, formate
    • Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-formate
    • DTXSID20886989
    • RefChem:129631
    • DTXCID101026305
    • 4-(1,1-Dimethylpropyl)cyclohexyl formate
    • 4-(2-METHYLBUTAN-2-YL)CYCLOHEXYL FORMATE
    • DYSYPCUGLFVYAR-UHFFFAOYSA-N
    • NS00054863
    • 67874-73-1

  • Applications

    Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-formate (CAS 67874-73-1) is used as an organic synthesis intermediate; it can function as a solvent or processing aid in coatings, inks, and adhesives; it may act as a plasticizer for certain polymers; it can be evaluated as a fragrance odorant or fixative component in perfumery; it is also used as a solvent or ingredient in cosmetics and personal care products; and it may appear in cleaning formulations as a solvent. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1353.88
    methanol 1152.13
    isopropanol 1185.17
    water 0.59
    ethyl acetate 2789.51
    n-propanol 1258.0
    acetone 2513.63
    n-butanol 1049.36
    acetonitrile 1459.5
    DMF 2334.66
    toluene 913.63
    isobutanol 814.92
    1,4-dioxane 2327.28
    methyl acetate 1971.25
    THF 4438.31
    2-butanone 2260.73
    n-pentanol 450.89
    sec-butanol 737.56
    n-hexane 111.58
    ethylene glycol 154.28
    NMP 1469.1
    cyclohexane 217.07
    DMSO 1844.2
    n-butyl acetate 1340.44
    n-octanol 204.96
    chloroform 3460.37
    n-propyl acetate 1104.93
    acetic acid 755.53
    dichloromethane 3264.17
    cyclohexanone 2324.13
    propylene glycol 254.46
    isopropyl acetate 1910.61
    DMAc 1399.4
    2-ethoxyethanol 870.65
    isopentanol 858.06
    n-heptane 44.34
    ethyl formate 906.25
    1,2-dichloroethane 3005.76
    n-hexanol 672.17
    2-methoxyethanol 1628.71
    isobutyl acetate 678.74
    tetrachloromethane 640.46
    n-pentyl acetate 564.94
    transcutol 3888.01
    n-heptanol 228.28
    ethylbenzene 361.79
    MIBK 1105.07
    2-propoxyethanol 1428.08
    tert-butanol 1571.76
    MTBE 2459.25
    2-butoxyethanol 527.61
    propionic acid 948.11
    o-xylene 495.11
    formic acid 260.72
    diethyl ether 2419.52
    m-xylene 684.53
    p-xylene 457.74
    chlorobenzene 1332.95
    dimethyl carbonate 703.66
    n-octane 20.94
    formamide 618.42
    cyclopentanone 3089.57
    2-pentanone 1962.74
    anisole 890.42
    cyclopentyl methyl ether 2101.52
    gamma-butyrolactone 3300.21
    1-methoxy-2-propanol 1495.62
    pyridine 1545.24
    3-pentanone 1480.99
    furfural 1683.18
    n-dodecane 14.42
    diethylene glycol 804.74
    diisopropyl ether 673.59
    tert-amyl alcohol 1029.88
    acetylacetone 2017.82
    n-hexadecane 17.92
    acetophenone 671.14
    methyl propionate 1890.59
    isopentyl acetate 1173.94
    trichloroethylene 4365.31
    n-nonanol 185.51
    cyclohexanol 887.8
    benzyl alcohol 480.8
    2-ethylhexanol 343.62
    isooctanol 202.14
    dipropyl ether 602.96
    1,2-dichlorobenzene 1123.53
    ethyl lactate 365.35
    propylene carbonate 1479.61
    n-methylformamide 1443.49
    2-pentanol 704.52
    n-pentane 107.26
    1-propoxy-2-propanol 995.43
    1-methoxy-2-propyl acetate 1676.13
    2-(2-methoxypropoxy) propanol 574.41
    mesitylene 421.54
    ε-caprolactone 2025.64
    p-cymene 208.43
    epichlorohydrin 3662.76
    1,1,1-trichloroethane 2861.59
    2-aminoethanol 414.01
    morpholine-4-carbaldehyde 1717.09
    sulfolane 2940.05
    2,2,4-trimethylpentane 69.77
    2-methyltetrahydrofuran 2771.7
    n-hexyl acetate 717.74
    isooctane 70.99
    2-(2-butoxyethoxy)ethanol 858.15
    sec-butyl acetate 880.54
    tert-butyl acetate 2002.48
    decalin 93.78
    glycerin 340.23
    diglyme 1644.03
    acrylic acid 629.63
    isopropyl myristate 255.92
    n-butyric acid 1503.89
    acetyl acetate 1386.43
    di(2-ethylhexyl) phthalate 212.58
    ethyl propionate 1090.17
    nitromethane 2077.82
    1,2-diethoxyethane 1421.35
    benzonitrile 763.58
    trioctyl phosphate 161.14
    1-bromopropane 1583.56
    gamma-valerolactone 3075.62
    n-decanol 134.66
    triethyl phosphate 312.3
    4-methyl-2-pentanol 428.98
    propionitrile 1356.23
    vinylene carbonate 1181.92
    1,1,2-trichlorotrifluoroethane 1438.42
    DMS 843.38
    cumene 234.23
    2-octanol 159.44
    2-hexanone 820.56
    octyl acetate 300.43
    limonene 308.23
    1,2-dimethoxyethane 1497.83
    ethyl orthosilicate 317.34
    tributyl phosphate 248.86
    diacetone alcohol 1343.92
    N,N-dimethylaniline 464.98
    acrylonitrile 1406.99
    aniline 1053.93
    1,3-propanediol 726.37
    bromobenzene 1512.98
    dibromomethane 2213.06
    1,1,2,2-tetrachloroethane 3404.42
    2-methyl-cyclohexyl acetate 526.8
    tetrabutyl urea 262.12
    diisobutyl methanol 237.05
    2-phenylethanol 550.83
    styrene 490.87
    dioctyl adipate 368.17
    dimethyl sulfate 977.71
    ethyl butyrate 799.13
    methyl lactate 584.01
    butyl lactate 431.21
    diethyl carbonate 516.42
    propanediol butyl ether 448.64
    triethyl orthoformate 526.36
    p-tert-butyltoluene 225.89
    methyl 4-tert-butylbenzoate 531.11
    morpholine 2838.89
    tert-butylamine 997.7
    n-dodecanol 98.91
    dimethoxymethane 1914.39
    ethylene carbonate 1153.84
    cyrene 454.73
    2-ethoxyethyl acetate 986.3
    2-ethylhexyl acetate 856.41
    1,2,4-trichlorobenzene 1253.47
    4-methylpyridine 1751.28
    dibutyl ether 431.44
    2,6-dimethyl-4-heptanol 237.05
    DEF 1683.34
    dimethyl isosorbide 1148.17
    tetrachloroethylene 1967.17
    eugenol 450.07
    triacetin 696.67
    span 80 436.51
    1,4-butanediol 197.79
    1,1-dichloroethane 3004.59
    2-methyl-1-pentanol 415.56
    methyl formate 871.27
    2-methyl-1-butanol 735.66
    n-decane 28.0
    butyronitrile 1289.54
    3,7-dimethyl-1-octanol 283.36
    1-chlorooctane 185.89
    1-chlorotetradecane 61.41
    n-nonane 26.98
    undecane 19.17
    tert-butylcyclohexane 91.03
    cyclooctane 66.44
    cyclopentanol 998.45
    tetrahydropyran 2855.25
    tert-amyl methyl ether 1276.14
    2,5,8-trioxanonane 918.46
    1-hexene 431.14
    2-isopropoxyethanol 641.69
    2,2,2-trifluoroethanol 409.43
    methyl butyrate 1224.99

    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