1,2,3-Trimethylcyclohex-1-ene

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  • Identifiers

    CAS number
    88608-77-9

    Molecular formula
    C9H16

    SMILES
    CC1CCCC(=C1C)C

  • Odor profile

    Herbal 68.71%
    Citrus 64.93%
    Woody 60.8%
    Terpenic 56.24%
    Spicy 55.86%
    Lemon 50.08%
    Sweet 48.01%
    Fresh 43.0%
    Pine 42.0%
    Camphoreous 39.6%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    152°C

    Flash point est.
    28.91 ˚C

  • Synonyms

    • Trimethyl cyclohexene
    • 1,2,3-Trimethylcyclohex-1-ene
    • DTXSID50501698
    • 88608-77-9
    • DTXCID80452508
    • AKOS006284666
    • DB-309475
    • NS00064273

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 593.29
    methanol 453.69
    isopropanol 396.18
    water 0.19
    ethyl acetate 1076.7
    n-propanol 564.51
    acetone 473.99
    n-butanol 679.01
    acetonitrile 616.01
    DMF 244.78
    toluene 890.25
    isobutanol 343.64
    1,4-dioxane 1556.52
    methyl acetate 591.45
    THF 1805.3
    2-butanone 684.29
    n-pentanol 417.9
    sec-butanol 454.48
    n-hexane 469.9
    ethylene glycol 28.39
    NMP 335.05
    cyclohexane 657.96
    DMSO 247.26
    n-butyl acetate 2050.08
    n-octanol 283.59
    chloroform 1968.03
    n-propyl acetate 577.0
    acetic acid 238.87
    dichloromethane 1714.03
    cyclohexanone 948.79
    propylene glycol 52.8
    isopropyl acetate 658.99
    DMAc 256.55
    2-ethoxyethanol 356.61
    isopentanol 536.41
    n-heptane 620.41
    ethyl formate 387.12
    1,2-dichloroethane 1042.13
    n-hexanol 1055.73
    2-methoxyethanol 481.22
    isobutyl acetate 387.7
    tetrachloromethane 590.25
    n-pentyl acetate 587.71
    transcutol 1749.59
    n-heptanol 346.25
    ethylbenzene 329.07
    MIBK 441.15
    2-propoxyethanol 990.32
    tert-butanol 503.49
    MTBE 1019.99
    2-butoxyethanol 415.87
    propionic acid 262.79
    o-xylene 384.58
    formic acid 54.34
    diethyl ether 1846.99
    m-xylene 477.65
    p-xylene 357.15
    chlorobenzene 743.57
    dimethyl carbonate 115.74
    n-octane 152.56
    formamide 83.31
    cyclopentanone 746.93
    2-pentanone 672.12
    anisole 506.89
    cyclopentyl methyl ether 1002.0
    gamma-butyrolactone 668.35
    1-methoxy-2-propanol 359.38
    pyridine 1221.95
    3-pentanone 609.37
    furfural 571.36
    n-dodecane 75.8
    diethylene glycol 280.74
    diisopropyl ether 537.39
    tert-amyl alcohol 473.33
    acetylacetone 484.86
    n-hexadecane 87.53
    acetophenone 321.32
    methyl propionate 482.03
    isopentyl acetate 1383.29
    trichloroethylene 1370.04
    n-nonanol 283.97
    cyclohexanol 515.93
    benzyl alcohol 246.21
    2-ethylhexanol 783.99
    isooctanol 293.76
    dipropyl ether 1757.41
    1,2-dichlorobenzene 571.66
    ethyl lactate 116.74
    propylene carbonate 428.81
    n-methylformamide 172.33
    2-pentanol 449.64
    n-pentane 423.52
    1-propoxy-2-propanol 862.43
    1-methoxy-2-propyl acetate 861.75
    2-(2-methoxypropoxy) propanol 384.9
    mesitylene 302.19
    ε-caprolactone 805.13
    p-cymene 369.66
    epichlorohydrin 952.21
    1,1,1-trichloroethane 1192.42
    2-aminoethanol 106.61
    morpholine-4-carbaldehyde 526.03
    sulfolane 458.85
    2,2,4-trimethylpentane 149.76
    2-methyltetrahydrofuran 1554.67
    n-hexyl acetate 630.14
    isooctane 146.98
    2-(2-butoxyethoxy)ethanol 561.89
    sec-butyl acetate 427.74
    tert-butyl acetate 648.8
    decalin 203.02
    glycerin 64.88
    diglyme 991.5
    acrylic acid 146.27
    isopropyl myristate 298.09
    n-butyric acid 629.05
    acetyl acetate 495.96
    di(2-ethylhexyl) phthalate 180.1
    ethyl propionate 484.63
    nitromethane 354.14
    1,2-diethoxyethane 1794.19
    benzonitrile 509.08
    trioctyl phosphate 138.16
    1-bromopropane 1273.92
    gamma-valerolactone 825.8
    n-decanol 215.8
    triethyl phosphate 284.99
    4-methyl-2-pentanol 276.83
    propionitrile 726.67
    vinylene carbonate 392.17
    1,1,2-trichlorotrifluoroethane 342.2
    DMS 316.32
    cumene 215.33
    2-octanol 220.14
    2-hexanone 596.33
    octyl acetate 334.03
    limonene 621.8
    1,2-dimethoxyethane 895.89
    ethyl orthosilicate 335.85
    tributyl phosphate 207.63
    diacetone alcohol 371.42
    N,N-dimethylaniline 284.58
    acrylonitrile 520.45
    aniline 536.53
    1,3-propanediol 226.03
    bromobenzene 895.8
    dibromomethane 1401.93
    1,1,2,2-tetrachloroethane 1085.78
    2-methyl-cyclohexyl acetate 568.5
    tetrabutyl urea 228.87
    diisobutyl methanol 403.76
    2-phenylethanol 507.62
    styrene 416.7
    dioctyl adipate 294.17
    dimethyl sulfate 105.9
    ethyl butyrate 1106.47
    methyl lactate 100.13
    butyl lactate 250.51
    diethyl carbonate 547.05
    propanediol butyl ether 202.48
    triethyl orthoformate 739.64
    p-tert-butyltoluene 361.78
    methyl 4-tert-butylbenzoate 305.06
    morpholine 1441.58
    tert-butylamine 501.64
    n-dodecanol 169.15
    dimethoxymethane 407.97
    ethylene carbonate 391.99
    cyrene 188.73
    2-ethoxyethyl acetate 666.9
    2-ethylhexyl acetate 1235.89
    1,2,4-trichlorobenzene 570.46
    4-methylpyridine 1062.63
    dibutyl ether 918.57
    2,6-dimethyl-4-heptanol 403.76
    DEF 546.38
    dimethyl isosorbide 656.55
    tetrachloroethylene 784.45
    eugenol 253.97
    triacetin 342.12
    span 80 341.76
    1,4-butanediol 64.47
    1,1-dichloroethane 1094.94
    2-methyl-1-pentanol 399.88
    methyl formate 111.61
    2-methyl-1-butanol 491.18
    n-decane 142.24
    butyronitrile 871.0
    3,7-dimethyl-1-octanol 376.41
    1-chlorooctane 353.48
    1-chlorotetradecane 142.63
    n-nonane 146.84
    undecane 97.56
    tert-butylcyclohexane 192.79
    cyclooctane 264.71
    cyclopentanol 381.4
    tetrahydropyran 2079.47
    tert-amyl methyl ether 685.01
    2,5,8-trioxanonane 657.55
    1-hexene 882.34
    2-isopropoxyethanol 285.25
    2,2,2-trifluoroethanol 57.9
    methyl butyrate 535.63

    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
Styrax (China) 8024-01-9 Liquidamber formosana Hance, fam. Hamamelidaceae 0.13%