4-Methylcyclohexene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    591-47-9

    Molecular formula
    C7H12

    SMILES
    CC1CCC=CC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Citrus 70.28%
    Lemon 38.38%
    Gassy 35.21%
    Dry 30.62%
    Woody 30.29%
    Musk 25.52%
    Spicy 25.03%
    Terpenic 23.75%
    Sweet 23.35%
    Fresh 22.65%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.45 (weak base)

    Molecular weight
    96.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    99°C

    Flash point est.
    -1.67 ˚C

  • Synonyms

    • 4-METHYLCYCLOHEXENE
    • 4-Methyl-1-cyclohexene
    • 591-47-9
    • Cyclohexene, 4-methyl-
    • 4-Methylcyclohex-1-ene
    • 2N22W8H0JX
    • NSC 9386
    • NSC-9386
    • EINECS 209-715-4
    • DTXSID10862257
    • 4-METHYLCYCLOHEXENE, (+/-)-
    • NSC9386
    • 4-methyl cyclohexene
    • 4-methyl-cyclohexene
    • MFCD00001573
    • 4-Methylcyclohexene-1
    • 4-Methylcyclohexene, 99%
    • UNII-2N22W8H0JX
    • DTXCID80811050
    • AKOS015842661
    • M0201
    • M2201
    • NS00042637
    • D91581
    • EN300-103785
    • 4-Methyl-1-cyclohexene, purum, >=99.0% (GC)
    • Z1255457381
    • 209-715-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1133.16
    methanol 587.52
    isopropanol 791.11
    water 0.1
    ethyl acetate 2133.08
    n-propanol 1010.59
    acetone 954.92
    n-butanol 1309.68
    acetonitrile 731.46
    DMF 348.44
    toluene 1117.59
    isobutanol 602.58
    1,4-dioxane 2061.22
    methyl acetate 927.19
    THF 3098.53
    2-butanone 1243.27
    n-pentanol 773.73
    sec-butanol 888.66
    n-hexane 1107.61
    ethylene glycol 53.18
    NMP 407.75
    cyclohexane 1214.47
    DMSO 567.9
    n-butyl acetate 4088.37
    n-octanol 455.55
    chloroform 2759.99
    n-propyl acetate 941.97
    acetic acid 359.7
    dichloromethane 2271.96
    cyclohexanone 1240.15
    propylene glycol 123.06
    isopropyl acetate 1260.03
    DMAc 342.91
    2-ethoxyethanol 581.9
    isopentanol 974.1
    n-heptane 1623.7
    ethyl formate 529.3
    1,2-dichloroethane 1447.89
    n-hexanol 2181.71
    2-methoxyethanol 822.6
    isobutyl acetate 559.09
    tetrachloromethane 653.98
    n-pentyl acetate 867.54
    transcutol 2809.16
    n-heptanol 532.05
    ethylbenzene 367.87
    MIBK 826.9
    2-propoxyethanol 1798.0
    tert-butanol 899.92
    MTBE 1625.48
    2-butoxyethanol 599.39
    propionic acid 431.11
    o-xylene 429.98
    formic acid 55.11
    diethyl ether 3612.29
    m-xylene 583.01
    p-xylene 345.43
    chlorobenzene 794.98
    dimethyl carbonate 152.61
    n-octane 316.38
    formamide 83.14
    cyclopentanone 1130.37
    2-pentanone 1471.0
    anisole 547.36
    cyclopentyl methyl ether 1800.68
    gamma-butyrolactone 867.51
    1-methoxy-2-propanol 765.81
    pyridine 1421.3
    3-pentanone 1016.37
    furfural 611.71
    n-dodecane 141.64
    diethylene glycol 510.01
    diisopropyl ether 1030.11
    tert-amyl alcohol 786.82
    acetylacetone 910.36
    n-hexadecane 157.43
    acetophenone 320.16
    methyl propionate 832.65
    isopentyl acetate 2214.15
    trichloroethylene 1734.87
    n-nonanol 431.95
    cyclohexanol 909.9
    benzyl alcohol 295.91
    2-ethylhexanol 1583.86
    isooctanol 391.97
    dipropyl ether 3604.18
    1,2-dichlorobenzene 517.75
    ethyl lactate 178.93
    propylene carbonate 577.6
    n-methylformamide 225.07
    2-pentanol 1032.29
    n-pentane 1109.78
    1-propoxy-2-propanol 1843.6
    1-methoxy-2-propyl acetate 1565.33
    2-(2-methoxypropoxy) propanol 474.84
    mesitylene 350.61
    ε-caprolactone 1138.64
    p-cymene 466.45
    epichlorohydrin 1385.82
    1,1,1-trichloroethane 1489.2
    2-aminoethanol 181.71
    morpholine-4-carbaldehyde 613.68
    sulfolane 594.53
    2,2,4-trimethylpentane 246.02
    2-methyltetrahydrofuran 2695.25
    n-hexyl acetate 901.39
    isooctane 271.03
    2-(2-butoxyethoxy)ethanol 832.44
    sec-butyl acetate 669.08
    tert-butyl acetate 1051.2
    decalin 280.67
    glycerin 124.24
    diglyme 1306.99
    acrylic acid 219.97
    isopropyl myristate 384.98
    n-butyric acid 1116.95
    acetyl acetate 772.66
    di(2-ethylhexyl) phthalate 195.56
    ethyl propionate 778.88
    nitromethane 467.65
    1,2-diethoxyethane 3215.94
    benzonitrile 540.55
    trioctyl phosphate 172.02
    1-bromopropane 2458.2
    gamma-valerolactone 998.22
    n-decanol 346.45
    triethyl phosphate 345.58
    4-methyl-2-pentanol 510.57
    propionitrile 901.04
    vinylene carbonate 417.0
    1,1,2-trichlorotrifluoroethane 502.07
    DMS 355.3
    cumene 206.82
    2-octanol 339.55
    2-hexanone 1021.48
    octyl acetate 470.17
    limonene 928.89
    1,2-dimethoxyethane 1267.13
    ethyl orthosilicate 430.32
    tributyl phosphate 256.75
    diacetone alcohol 619.1
    N,N-dimethylaniline 252.61
    acrylonitrile 575.11
    aniline 677.19
    1,3-propanediol 386.57
    bromobenzene 993.04
    dibromomethane 2172.93
    1,1,2,2-tetrachloroethane 1398.87
    2-methyl-cyclohexyl acetate 729.32
    tetrabutyl urea 283.58
    diisobutyl methanol 701.31
    2-phenylethanol 708.24
    styrene 475.62
    dioctyl adipate 359.52
    dimethyl sulfate 127.74
    ethyl butyrate 1996.06
    methyl lactate 174.67
    butyl lactate 338.49
    diethyl carbonate 785.5
    propanediol butyl ether 336.04
    triethyl orthoformate 1087.3
    p-tert-butyltoluene 430.65
    methyl 4-tert-butylbenzoate 262.83
    morpholine 2127.29
    tert-butylamine 882.94
    n-dodecanol 292.4
    dimethoxymethane 752.81
    ethylene carbonate 458.74
    cyrene 194.36
    2-ethoxyethyl acetate 921.51
    2-ethylhexyl acetate 1916.31
    1,2,4-trichlorobenzene 545.7
    4-methylpyridine 1204.04
    dibutyl ether 1764.04
    2,6-dimethyl-4-heptanol 701.31
    DEF 1003.64
    dimethyl isosorbide 717.02
    tetrachloroethylene 939.44
    eugenol 233.35
    triacetin 432.55
    span 80 477.58
    1,4-butanediol 111.45
    1,1-dichloroethane 1709.16
    2-methyl-1-pentanol 659.05
    methyl formate 140.95
    2-methyl-1-butanol 865.16
    n-decane 266.71
    butyronitrile 1477.31
    3,7-dimethyl-1-octanol 601.69
    1-chlorooctane 569.95
    1-chlorotetradecane 224.59
    n-nonane 313.44
    undecane 183.18
    tert-butylcyclohexane 255.32
    cyclooctane 515.3
    cyclopentanol 675.9
    tetrahydropyran 3371.43
    tert-amyl methyl ether 1147.81
    2,5,8-trioxanonane 796.69
    1-hexene 1985.6
    2-isopropoxyethanol 475.48
    2,2,2-trifluoroethanol 69.99
    methyl butyrate 825.79

    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