Cyclohexane, 1-methyl-3-(1-methylethyl)-

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  • Identifiers

    CAS number
    16580-24-8

    Molecular formula
    C10H20

    SMILES
    CC1CCCC(C1)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fresh 48.4%
    Citrus 46.48%
    Woody 41.56%
    Herbal 41.48%
    Green 34.42%
    Pine 34.32%
    Spicy 33.66%
    Terpenic 32.51%
    Mint 31.61%
    Lemon 29.91%

     

    Flavor
    Woody 30.47%
    Spice 29.78%
    Pine 28.95%
    Wood 24.62%
    Terpene 23.45%
    Herb 23.06%
    Mentholic 21.48%
    Old paper 21.12%
    Terpentine 21.06%
    Terpenic 20.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    10.1 (weak base)

    Molecular weight
    140.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 46.74 ˚C est.

  • Synonyms

    • Cyclohexane, 1-methyl-3-(1-methylethyl)-
    • 16580-24-8
    • RefChem:580444
    • 1-methyl-3-propan-2-ylcyclohexane
    • 1-methyl-3-(1-methylethyl)-cyclohexane
    • m-menthane
    • 1-methyl-3-isopropylcyclohexane
    • m-methane
    • m-Menthane, (1R,3R)-(+)-
    • 1-Methyl-3-(propan-2-yl)cyclohexane
    • 1-ISOPROPYL-3-METHYLCYCLOHEXANE
    • 1-methyl-3-(1-methylethyl)cyclohexane
    • SCHEMBL291236
    • SCHEMBL598214
    • SCHEMBL1119626
    • SCHEMBL1119634
    • SCHEMBL1861869
    • SCHEMBL7644702
    • SCHEMBL9340524
    • SCHEMBL10791887
    • DTXSID20871259
    • CHEBI:229283
    • 1-Isopropyl-3-methylcyclohexane #
    • m-Menthane, (1S,3S)-(+)-
    • LMFA11000653
    • Q22131874
    • 16580-24-8

  • Applications

    Cyclohexane, 1-methyl-3-(1-methylethyl)-, CAS 16580-24-8 is a branched cyclohexane derivative that can function as a fragrance ingredient (odorant) in perfumery and cosmetic formulations, and may serve as a solvent or processing aid in fragrance, cosmetic, and household product formulations. It may also act as an intermediate in the synthesis of other cyclohexane derivatives, and can be used as a nonpolar solvent in industrial manufacturing, coatings, and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 589.55
    methanol 237.66
    isopropanol 824.51
    water 0.04
    ethyl acetate 1542.89
    n-propanol 803.97
    acetone 1282.74
    n-butanol 1091.71
    acetonitrile 720.45
    DMF 683.67
    toluene 1273.4
    isobutanol 797.47
    1,4-dioxane 2176.69
    methyl acetate 1114.7
    THF 4184.59
    2-butanone 1637.85
    n-pentanol 675.22
    sec-butanol 1017.67
    n-hexane 1764.2
    ethylene glycol 35.66
    NMP 783.67
    cyclohexane 1870.71
    DMSO 646.35
    n-butyl acetate 3786.97
    n-octanol 872.88
    chloroform 2414.72
    n-propyl acetate 1112.62
    acetic acid 241.35
    dichloromethane 1791.83
    cyclohexanone 2311.96
    propylene glycol 110.68
    isopropyl acetate 1235.14
    DMAc 662.59
    2-ethoxyethanol 459.65
    isopentanol 1155.29
    n-heptane 2320.98
    ethyl formate 564.26
    1,2-dichloroethane 1431.96
    n-hexanol 2358.28
    2-methoxyethanol 640.42
    isobutyl acetate 897.09
    tetrachloromethane 736.14
    n-pentyl acetate 1093.97
    transcutol 2097.75
    n-heptanol 883.8
    ethylbenzene 666.53
    MIBK 1210.0
    2-propoxyethanol 1651.63
    tert-butanol 1513.71
    MTBE 2873.5
    2-butoxyethanol 846.86
    propionic acid 400.06
    o-xylene 762.44
    formic acid 21.55
    diethyl ether 2574.15
    m-xylene 932.77
    p-xylene 764.86
    chlorobenzene 1055.25
    dimethyl carbonate 235.86
    n-octane 647.17
    formamide 39.23
    cyclopentanone 2272.17
    2-pentanone 1630.1
    anisole 825.29
    cyclopentyl methyl ether 2427.62
    gamma-butyrolactone 1559.84
    1-methoxy-2-propanol 807.37
    pyridine 1552.19
    3-pentanone 1262.04
    furfural 922.84
    n-dodecane 344.53
    diethylene glycol 422.6
    diisopropyl ether 1377.26
    tert-amyl alcohol 1344.32
    acetylacetone 1122.85
    n-hexadecane 407.29
    acetophenone 540.43
    methyl propionate 888.96
    isopentyl acetate 2889.22
    trichloroethylene 1891.51
    n-nonanol 787.16
    cyclohexanol 1261.35
    benzyl alcohol 386.01
    2-ethylhexanol 2175.59
    isooctanol 788.53
    dipropyl ether 3938.24
    1,2-dichlorobenzene 869.71
    ethyl lactate 268.84
    propylene carbonate 999.09
    n-methylformamide 251.44
    2-pentanol 1062.63
    n-pentane 1254.67
    1-propoxy-2-propanol 2014.57
    1-methoxy-2-propyl acetate 1604.7
    2-(2-methoxypropoxy) propanol 655.23
    mesitylene 742.78
    ε-caprolactone 1675.5
    p-cymene 861.63
    epichlorohydrin 1818.2
    1,1,1-trichloroethane 2092.97
    2-aminoethanol 122.68
    morpholine-4-carbaldehyde 857.42
    sulfolane 1405.81
    2,2,4-trimethylpentane 517.93
    2-methyltetrahydrofuran 3465.4
    n-hexyl acetate 1476.12
    isooctane 566.03
    2-(2-butoxyethoxy)ethanol 960.3
    sec-butyl acetate 872.32
    tert-butyl acetate 1530.95
    decalin 689.8
    glycerin 114.56
    diglyme 1591.14
    acrylic acid 210.82
    isopropyl myristate 770.66
    n-butyric acid 958.09
    acetyl acetate 681.55
    di(2-ethylhexyl) phthalate 351.65
    ethyl propionate 927.87
    nitromethane 451.69
    1,2-diethoxyethane 2258.98
    benzonitrile 745.31
    trioctyl phosphate 381.42
    1-bromopropane 2180.89
    gamma-valerolactone 1767.57
    n-decanol 639.93
    triethyl phosphate 538.26
    4-methyl-2-pentanol 805.0
    propionitrile 1158.81
    vinylene carbonate 665.12
    1,1,2-trichlorotrifluoroethane 650.32
    DMS 580.34
    cumene 492.46
    2-octanol 671.36
    2-hexanone 1338.56
    octyl acetate 786.92
    limonene 1728.2
    1,2-dimethoxyethane 1534.82
    ethyl orthosilicate 624.19
    tributyl phosphate 479.91
    diacetone alcohol 967.59
    N,N-dimethylaniline 539.72
    acrylonitrile 790.38
    aniline 818.76
    1,3-propanediol 283.83
    bromobenzene 1366.29
    dibromomethane 1778.26
    1,1,2,2-tetrachloroethane 1788.77
    2-methyl-cyclohexyl acetate 1123.45
    tetrabutyl urea 558.44
    diisobutyl methanol 1253.14
    2-phenylethanol 815.71
    styrene 739.6
    dioctyl adipate 639.09
    dimethyl sulfate 287.58
    ethyl butyrate 1997.69
    methyl lactate 234.76
    butyl lactate 589.63
    diethyl carbonate 942.42
    propanediol butyl ether 520.63
    triethyl orthoformate 1283.07
    p-tert-butyltoluene 893.61
    methyl 4-tert-butylbenzoate 607.65
    morpholine 2127.75
    tert-butylamine 1559.11
    n-dodecanol 535.34
    dimethoxymethane 867.26
    ethylene carbonate 719.69
    cyrene 367.6
    2-ethoxyethyl acetate 929.21
    2-ethylhexyl acetate 2505.77
    1,2,4-trichlorobenzene 882.78
    4-methylpyridine 1634.62
    dibutyl ether 2495.64
    2,6-dimethyl-4-heptanol 1253.14
    DEF 1171.86
    dimethyl isosorbide 1173.46
    tetrachloroethylene 1044.09
    eugenol 467.01
    triacetin 673.4
    span 80 694.82
    1,4-butanediol 108.16
    1,1-dichloroethane 1901.53
    2-methyl-1-pentanol 725.31
    methyl formate 210.99
    2-methyl-1-butanol 1038.09
    n-decane 647.74
    butyronitrile 1620.4
    3,7-dimethyl-1-octanol 1139.49
    1-chlorooctane 1235.03
    1-chlorotetradecane 490.87
    n-nonane 746.9
    undecane 457.9
    tert-butylcyclohexane 686.83
    cyclooctane 933.92
    cyclopentanol 1037.32
    tetrahydropyran 3728.49
    tert-amyl methyl ether 1852.6
    2,5,8-trioxanonane 952.63
    1-hexene 2342.39
    2-isopropoxyethanol 517.09
    2,2,2-trifluoroethanol 65.41
    methyl butyrate 1197.93

    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