Cyclohexene, 4-methyl-1-(1-methylethyl)-

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  • Identifiers

    CAS number
    500-00-5

    Molecular formula
    C10H18

    SMILES
    CC1CCC(=CC1)C(C)C

    Retention indicies (RI)

    • DB5: 986.0

  • Odor profile

    Herbal 75.1%
    Woody 70.91%
    Spicy 67.1%
    Citrus 66.21%
    Terpenic 61.38%
    Fresh 60.07%
    Pine 50.45%
    Lemon 46.18%
    Sweet 45.03%
    Green 42.84%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    170°C

    Flash point est.
    48.72 ˚C

  • Synonyms

    • p-MENTH-3-ENE
    • 500-00-5
    • Cyclohexene, 4-methyl-1-(1-methylethyl)-
    • Menthomenthene
    • 3-p-Menthene
    • delta1-p-Menthene
    • xi-p-Menth-3-ene
    • 4-methyl-1-propan-2-ylcyclohexene
    • 4-Methyl-1-(1-methylethyl)cyclohexene
    • BRN 1850192
    • EINECS 207-896-4
    • DTXSID50862054
    • 2-05-00-00053 (Beilstein Handbook Reference)
    • 3-Menthene
    • menthen
    • para-3-menthene
    • 3-para-Menthene
    • dl-p-Menth-3-ene
    • .delta.3-p-Menthene
    • 4-methyl-1-(propan-2-yl)cyclohex-1-ene
    • AA4RG5FYP2
    • Menthane,didehydro derivative
    • 1-Isopropyl-4-methylcyclohexene
    • CHEBI:88834
    • 4-Methyl-1-iso-propylcyclohexene
    • DTXCID90810877
    • 1-Isopropyl-4-methyl-1-cyclohexene
    • AKOS006272091
    • 1-Isopropyl-4-methyl-1-cyclohexene #
    • DB-326149
    • NS00043602
    • Q24716505
    • 207-896-4

  • Applications

    Cyclohexene, 4-methyl-1-(1-methylethyl)- (CAS 500-00-5), a cyclic monoterpene of the p-menthene family, is used mainly as an intermediate in organic synthesis to access menthane/menthol-type derivatives and fragrance ingredients (via epoxidation, hydroboration–oxidation, hydration, or selective hydrogenation), as a minor aroma component in flavor and fragrance formulations to impart a fresh terpenic note and tune volatility, as a hydrophobic solvent with a pleasant odor for specialty inks, coatings, and cleaners, and as a model substrate in catalytic studies (hydrogenation, isomerization, oxidation) and for preparing p-menthane precursors used in radical initiators; it also serves as a building block for technical additives (surfactants, bio-based plasticizer components) and agrochemical intermediates, leveraging its terpene origin and generally good biodegradability, while requiring attention to flammability, VOC emissions, and compliance with safety and regulatory requirements at industrial scale.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 409.77
    methanol 137.46
    isopropanol 391.84
    water 0.03
    ethyl acetate 809.94
    n-propanol 413.16
    acetone 442.64
    n-butanol 566.01
    acetonitrile 398.3
    DMF 181.47
    toluene 907.61
    isobutanol 316.7
    1,4-dioxane 1321.48
    methyl acetate 429.84
    THF 2239.32
    2-butanone 624.94
    n-pentanol 353.18
    sec-butanol 440.28
    n-hexane 709.74
    ethylene glycol 12.76
    NMP 255.51
    cyclohexane 1016.33
    DMSO 228.76
    n-butyl acetate 2082.96
    n-octanol 437.36
    chloroform 1449.08
    n-propyl acetate 480.34
    acetic acid 141.05
    dichloromethane 1248.64
    cyclohexanone 962.65
    propylene glycol 40.9
    isopropyl acetate 559.23
    DMAc 209.09
    2-ethoxyethanol 219.27
    isopentanol 494.47
    n-heptane 1468.63
    ethyl formate 270.67
    1,2-dichloroethane 755.84
    n-hexanol 1353.06
    2-methoxyethanol 274.01
    isobutyl acetate 349.92
    tetrachloromethane 397.32
    n-pentyl acetate 592.38
    transcutol 1315.52
    n-heptanol 433.6
    ethylbenzene 395.23
    MIBK 497.18
    2-propoxyethanol 806.36
    tert-butanol 586.68
    MTBE 1125.69
    2-butoxyethanol 384.98
    propionic acid 161.86
    o-xylene 409.59
    formic acid 12.4
    diethyl ether 1471.25
    m-xylene 528.84
    p-xylene 434.92
    chlorobenzene 589.01
    dimethyl carbonate 79.31
    n-octane 302.86
    formamide 23.94
    cyclopentanone 767.88
    2-pentanone 696.43
    anisole 446.25
    cyclopentyl methyl ether 1104.96
    gamma-butyrolactone 557.57
    1-methoxy-2-propanol 327.95
    pyridine 1040.48
    3-pentanone 496.67
    furfural 361.15
    n-dodecane 151.2
    diethylene glycol 180.99
    diisopropyl ether 573.53
    tert-amyl alcohol 513.38
    acetylacetone 447.66
    n-hexadecane 175.61
    acetophenone 278.75
    methyl propionate 344.8
    isopentyl acetate 1406.0
    trichloroethylene 965.11
    n-nonanol 412.3
    cyclohexanol 584.1
    benzyl alcohol 190.07
    2-ethylhexanol 1160.21
    isooctanol 346.29
    dipropyl ether 2303.81
    1,2-dichlorobenzene 428.58
    ethyl lactate 93.68
    propylene carbonate 390.29
    n-methylformamide 77.87
    2-pentanol 461.59
    n-pentane 614.85
    1-propoxy-2-propanol 856.98
    1-methoxy-2-propyl acetate 774.82
    2-(2-methoxypropoxy) propanol 373.59
    mesitylene 343.82
    ε-caprolactone 756.77
    p-cymene 543.04
    epichlorohydrin 768.44
    1,1,1-trichloroethane 930.48
    2-aminoethanol 53.94
    morpholine-4-carbaldehyde 366.37
    sulfolane 389.63
    2,2,4-trimethylpentane 182.28
    2-methyltetrahydrofuran 1882.21
    n-hexyl acetate 785.92
    isooctane 196.72
    2-(2-butoxyethoxy)ethanol 535.81
    sec-butyl acetate 373.77
    tert-butyl acetate 593.85
    decalin 296.23
    glycerin 41.64
    diglyme 920.09
    acrylic acid 80.33
    isopropyl myristate 362.87
    n-butyric acid 475.66
    acetyl acetate 353.73
    di(2-ethylhexyl) phthalate 211.61
    ethyl propionate 385.56
    nitromethane 195.17
    1,2-diethoxyethane 1467.44
    benzonitrile 421.51
    trioctyl phosphate 174.92
    1-bromopropane 1316.74
    gamma-valerolactone 673.15
    n-decanol 314.92
    triethyl phosphate 253.78
    4-methyl-2-pentanol 305.21
    propionitrile 513.25
    vinylene carbonate 275.78
    1,1,2-trichlorotrifluoroethane 224.37
    DMS 246.15
    cumene 251.1
    2-octanol 310.41
    2-hexanone 591.44
    octyl acetate 412.36
    limonene 969.99
    1,2-dimethoxyethane 719.07
    ethyl orthosilicate 306.05
    tributyl phosphate 224.04
    diacetone alcohol 344.92
    N,N-dimethylaniline 275.64
    acrylonitrile 310.69
    aniline 445.34
    1,3-propanediol 132.68
    bromobenzene 786.85
    dibromomethane 1192.09
    1,1,2,2-tetrachloroethane 743.52
    2-methyl-cyclohexyl acetate 580.19
    tetrabutyl urea 277.4
    diisobutyl methanol 572.99
    2-phenylethanol 467.06
    styrene 459.5
    dioctyl adipate 354.66
    dimethyl sulfate 76.03
    ethyl butyrate 1113.78
    methyl lactate 73.16
    butyl lactate 231.77
    diethyl carbonate 478.95
    propanediol butyl ether 207.34
    triethyl orthoformate 657.66
    p-tert-butyltoluene 512.53
    methyl 4-tert-butylbenzoate 317.77
    morpholine 1311.76
    tert-butylamine 621.45
    n-dodecanol 257.11
    dimethoxymethane 347.8
    ethylene carbonate 298.89
    cyrene 171.99
    2-ethoxyethyl acetate 541.1
    2-ethylhexyl acetate 1333.69
    1,2,4-trichlorobenzene 438.09
    4-methylpyridine 962.69
    dibutyl ether 1254.07
    2,6-dimethyl-4-heptanol 572.99
    DEF 479.71
    dimethyl isosorbide 605.76
    tetrachloroethylene 487.52
    eugenol 226.25
    triacetin 344.96
    span 80 400.02
    1,4-butanediol 41.98
    1,1-dichloroethane 893.28
    2-methyl-1-pentanol 358.57
    methyl formate 58.75
    2-methyl-1-butanol 422.39
    n-decane 291.36
    butyronitrile 798.98
    3,7-dimethyl-1-octanol 492.85
    1-chlorooctane 596.95
    1-chlorotetradecane 220.54
    n-nonane 332.42
    undecane 197.25
    tert-butylcyclohexane 259.58
    cyclooctane 457.23
    cyclopentanol 433.97
    tetrahydropyran 2341.44
    tert-amyl methyl ether 722.73
    2,5,8-trioxanonane 596.0
    1-hexene 1217.95
    2-isopropoxyethanol 210.72
    2,2,2-trifluoroethanol 26.02
    methyl butyrate 477.65

    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
Savory, summer (Iran) 1 8016-68-0 Satureja hortensis L., fam. Lamiaceae (Labiatae) 0.05%