Isopropylcyclohexane

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  • Identifiers

    CAS number
    696-29-7

    Molecular formula
    C9H18

    SMILES
    CC(C)C1CCCCC1

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Woody 46.01%
    Fresh 39.08%
    Citrus 36.28%
    Sweet 34.05%
    Dry 32.0%
    Pine 31.53%
    Gassy 26.82%
    Herbal 26.47%
    Green 25.41%
    Terpenic 25.4%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    126.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -129 °F (USCG, 1999)
    • -89.8 °C

    Boiling point

    • 310 °F at 760 mmHg (USCG, 1999)
    • 154.00 to 155.00 °C. @ 760.00 mm Hg

    Flash point est.
    32.85 ˚C

    Flash point expt.

    • 96 °F (USCG, 1999)

  • Synonyms

    • ISOPROPYLCYCLOHEXANE
    • 696-29-7
    • propan-2-ylcyclohexane
    • Hexahydrocumene
    • Normanthane
    • Cyclohexane, (1-methylethyl)-
    • Cyclohexane, isopropyl-
    • Isopropyl-cyclohexane
    • (1-Methylethyl)cyclohexane
    • 2-Cyclohexylpropane
    • Iso-propylcyclohexane
    • 1-methylethyl-cyclohexane
    • isopropyl cyclohexane
    • EINECS 211-792-4
    • NSC 73963
    • (1-methylethyl)-Cyclohexane
    • DTXSID2061012
    • (1-Methylethyl)cyclohexane, 9CI
    • EC 211-792-4
    • NSC-73963
    • (methylethyl)cyclohexane
    • 2Cyclohexylpropane
    • MFCD00001480
    • NORMENTHANE
    • 1Methylethylcyclohexane
    • Cyclohexane, isopropyl
    • Isopropylcyclohexane, 99%
    • Cyclohexane, (1methylethyl)
    • WLN: L6TJ AY1&1
    • Cyclohexane, isopropyl (8CI)
    • Cyclohexane, isopropyl-(8CI)
    • 1-METHYLETHYLCYCLOHEXANE
    • 5S52JAD8P7
    • Cyclohexane, isopropyl- (8CI)
    • DTXCID4046529
    • CHEBI:187116
    • NSC73963
    • LMFA11000629
    • AKOS015901591
    • LS-13699
    • I0161
    • NS00007045
    • E78225
    • A836573
    • Q63408583
    • 211-792-4

  • Applications

    Isopropylcyclohexane (CAS 696-29-7) is a saturated, nonpolar cyclic hydrocarbon of mid-boiling range used as an aromatic-free solvent or diluent for resins, adhesives, inks, and coatings; as a reaction medium and extraction solvent where an inert, controlled-evaporation environment is needed; as a carrier in cleaning and metalworking formulations; and as a model compound in fuel/combustion studies of cycloalkanes, in catalytic hydrogenation/dehydrogenation, isomerization, and hydrocracking research, as well as in phase-equilibrium and thermophysical property measurements; it is also employed as an analytical reference or gas-chromatography retention-index calibrant and as a starting point for functionalizing the cyclohexane ring in advanced organic synthesis, with use subject to applicable safety and environmental regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 719.4
    methanol 329.18
    isopropanol 890.95
    water 0.03
    ethyl acetate 2016.31
    n-propanol 938.16
    acetone 1539.54
    n-butanol 1291.81
    acetonitrile 975.85
    DMF 785.39
    toluene 1633.03
    isobutanol 885.14
    1,4-dioxane 2705.47
    methyl acetate 1361.2
    THF 5096.11
    2-butanone 1881.02
    n-pentanol 794.26
    sec-butanol 1135.6
    n-hexane 2095.84
    ethylene glycol 37.59
    NMP 1088.55
    cyclohexane 2466.75
    DMSO 836.04
    n-butyl acetate 5006.92
    n-octanol 830.38
    chloroform 3523.32
    n-propyl acetate 1452.02
    acetic acid 318.08
    dichloromethane 2759.05
    cyclohexanone 3019.7
    propylene glycol 112.27
    isopropyl acetate 1548.05
    DMAc 705.19
    2-ethoxyethanol 544.55
    isopentanol 1313.3
    n-heptane 2959.12
    ethyl formate 742.48
    1,2-dichloroethane 2077.41
    n-hexanol 2629.99
    2-methoxyethanol 748.39
    isobutyl acetate 1048.86
    tetrachloromethane 1123.91
    n-pentyl acetate 1338.63
    transcutol 2316.2
    n-heptanol 901.79
    ethylbenzene 760.49
    MIBK 1360.65
    2-propoxyethanol 1921.49
    tert-butanol 1589.22
    MTBE 2936.99
    2-butoxyethanol 906.08
    propionic acid 516.12
    o-xylene 848.14
    formic acid 29.5
    diethyl ether 3367.78
    m-xylene 995.77
    p-xylene 842.71
    chlorobenzene 1447.17
    dimethyl carbonate 258.57
    n-octane 734.6
    formamide 53.62
    cyclopentanone 2767.44
    2-pentanone 1978.2
    anisole 926.66
    cyclopentyl methyl ether 3022.84
    gamma-butyrolactone 2113.88
    1-methoxy-2-propanol 880.27
    pyridine 2088.82
    3-pentanone 1514.51
    furfural 1211.87
    n-dodecane 354.65
    diethylene glycol 459.41
    diisopropyl ether 1506.42
    tert-amyl alcohol 1407.35
    acetylacetone 1302.75
    n-hexadecane 418.9
    acetophenone 623.13
    methyl propionate 1095.88
    isopentyl acetate 3472.94
    trichloroethylene 2648.76
    n-nonanol 778.13
    cyclohexanol 1536.36
    benzyl alcohol 422.21
    2-ethylhexanol 2447.94
    isooctanol 798.44
    dipropyl ether 5075.14
    1,2-dichlorobenzene 1156.57
    ethyl lactate 310.79
    propylene carbonate 1334.49
    n-methylformamide 315.15
    2-pentanol 1215.69
    n-pentane 1542.57
    1-propoxy-2-propanol 2342.89
    1-methoxy-2-propyl acetate 1895.21
    2-(2-methoxypropoxy) propanol 659.87
    mesitylene 757.68
    ε-caprolactone 2165.14
    p-cymene 988.88
    epichlorohydrin 2389.47
    1,1,1-trichloroethane 2902.53
    2-aminoethanol 136.85
    morpholine-4-carbaldehyde 1067.22
    sulfolane 1837.88
    2,2,4-trimethylpentane 571.39
    2-methyltetrahydrofuran 4270.65
    n-hexyl acetate 1596.61
    isooctane 566.12
    2-(2-butoxyethoxy)ethanol 1015.06
    sec-butyl acetate 1083.9
    tert-butyl acetate 1787.87
    decalin 783.4
    glycerin 124.81
    diglyme 1877.69
    acrylic acid 272.09
    isopropyl myristate 831.37
    n-butyric acid 1306.61
    acetyl acetate 891.2
    di(2-ethylhexyl) phthalate 361.02
    ethyl propionate 1198.67
    nitromethane 599.06
    1,2-diethoxyethane 2757.61
    benzonitrile 928.31
    trioctyl phosphate 384.78
    1-bromopropane 3190.25
    gamma-valerolactone 2232.33
    n-decanol 622.45
    triethyl phosphate 651.4
    4-methyl-2-pentanol 841.04
    propionitrile 1501.23
    vinylene carbonate 903.96
    1,1,2-trichlorotrifluoroethane 804.1
    DMS 628.31
    cumene 515.27
    2-octanol 690.99
    2-hexanone 1641.79
    octyl acetate 842.4
    limonene 2113.7
    1,2-dimethoxyethane 1853.58
    ethyl orthosilicate 751.39
    tributyl phosphate 522.33
    diacetone alcohol 1051.37
    N,N-dimethylaniline 569.63
    acrylonitrile 1037.51
    aniline 1019.12
    1,3-propanediol 324.53
    bromobenzene 1898.75
    dibromomethane 2698.32
    1,1,2,2-tetrachloroethane 2460.09
    2-methyl-cyclohexyl acetate 1337.57
    tetrabutyl urea 613.78
    diisobutyl methanol 1398.33
    2-phenylethanol 902.07
    styrene 893.5
    dioctyl adipate 699.53
    dimethyl sulfate 316.84
    ethyl butyrate 2886.68
    methyl lactate 250.1
    butyl lactate 686.18
    diethyl carbonate 1279.9
    propanediol butyl ether 502.58
    triethyl orthoformate 1747.74
    p-tert-butyltoluene 980.68
    methyl 4-tert-butylbenzoate 633.72
    morpholine 2673.56
    tert-butylamine 1638.72
    n-dodecanol 523.88
    dimethoxymethane 999.61
    ethylene carbonate 1001.72
    cyrene 394.43
    2-ethoxyethyl acetate 1105.68
    2-ethylhexyl acetate 3074.46
    1,2,4-trichlorobenzene 1116.14
    4-methylpyridine 2080.64
    dibutyl ether 2956.73
    2,6-dimethyl-4-heptanol 1398.33
    DEF 1506.17
    dimethyl isosorbide 1302.33
    tetrachloroethylene 1553.4
    eugenol 477.91
    triacetin 721.59
    span 80 725.28
    1,4-butanediol 110.58
    1,1-dichloroethane 2606.83
    2-methyl-1-pentanol 811.48
    methyl formate 248.87
    2-methyl-1-butanol 1168.12
    n-decane 669.65
    butyronitrile 2075.56
    3,7-dimethyl-1-octanol 1201.1
    1-chlorooctane 1351.21
    1-chlorotetradecane 513.26
    n-nonane 782.14
    undecane 462.93
    tert-butylcyclohexane 732.72
    cyclooctane 1076.15
    cyclopentanol 1284.39
    tetrahydropyran 4772.1
    tert-amyl methyl ether 1980.93
    2,5,8-trioxanonane 1047.68
    1-hexene 3018.78
    2-isopropoxyethanol 572.77
    2,2,2-trifluoroethanol 84.05
    methyl butyrate 1531.8

    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

Botanical

Name CAS Botanical Proportion
Artemisia monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 0.1%
Eucalyptus citriodora (China) 1 8000-48-4 Eucalyptus citriodora Hook. f., fam. Myrtaceae 0.26%
Eucalyptus citriodora (India) 1 8008-48-4 Eucalyptus citriodora Hook. f., fam. Myrtaceae 0.26%