3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-

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  • Identifiers

    CAS number
    72812-40-9

    Molecular formula
    C10H18O

    SMILES
    CC1C=C(CCC1(C)CO)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 70.94%
    Floral 61.06%
    Green 55.5%
    Woody 53.23%
    Citrus 48.73%
    Fresh 44.51%
    Spicy 44.08%
    Earthy 42.53%
    Grapefruit 35.62%
    Mint 34.36%

     

    Flavor
    Fruity 46.06%
    Woody 44.36%
    Sweet 43.05%
    Herbal 41.98%
    Spicy 31.61%
    Earthy 31.44%
    Camphor 30.15%
    Herb 29.95%
    Musty 26.6%
    Floral 25.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    10.21 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    219°C

    Flash point

    • 97.71 ˚C est.

  • Synonyms

    • 3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-
    • EINECS 276-861-3
    • Isotrimethyltetrahydro benzyl alcohol
    • RefChem:500768
    • OQQITXVHRIGINI-UHFFFAOYSA-N
    • 72812-40-9
    • 72812-40-9

  • Applications

    3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-, CAS 72812-40-9 is an alcohol-bearing cyclohexene derivative with three methyl substituents. In industry, it is commonly used as an intermediate in organic synthesis, serving as a building block for fragrance and flavor chemicals, and as a precursor to specialty polymers and coatings. The hydroxyl group allows functionalization by esterification or etherification to yield cosmetic and personal-care ingredients, and to materials used in coatings and inks. It may also serve as a starting material for pharmaceutical synthesis in research and development settings, and its unsaturated ring provides potential for polymerization or crosslinking in specialty polymer systems, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1144.75
    methanol 370.5
    isopropanol 1351.12
    water 2.69
    ethyl acetate 943.08
    n-propanol 1062.92
    acetone 1078.32
    n-butanol 954.8
    acetonitrile 1357.17
    DMF 665.43
    toluene 366.14
    isobutanol 810.04
    1,4-dioxane 1723.3
    methyl acetate 858.78
    THF 2334.98
    2-butanone 983.72
    n-pentanol 357.83
    sec-butanol 761.09
    n-hexane 49.99
    ethylene glycol 109.7
    NMP 378.41
    cyclohexane 126.73
    DMSO 530.26
    n-butyl acetate 675.44
    n-octanol 318.22
    chloroform 1675.43
    n-propyl acetate 406.03
    acetic acid 500.95
    dichloromethane 1445.94
    cyclohexanone 830.67
    propylene glycol 240.58
    isopropyl acetate 519.58
    DMAc 394.23
    2-ethoxyethanol 450.25
    isopentanol 736.48
    n-heptane 95.26
    ethyl formate 641.07
    1,2-dichloroethane 757.07
    n-hexanol 759.63
    2-methoxyethanol 928.69
    isobutyl acetate 251.0
    tetrachloromethane 331.26
    n-pentyl acetate 324.97
    transcutol 1466.86
    n-heptanol 338.59
    ethylbenzene 150.89
    MIBK 443.79
    2-propoxyethanol 876.75
    tert-butanol 1296.7
    MTBE 1001.64
    2-butoxyethanol 474.46
    propionic acid 502.91
    o-xylene 209.62
    formic acid 127.0
    diethyl ether 901.77
    m-xylene 262.53
    p-xylene 211.81
    chlorobenzene 405.19
    dimethyl carbonate 189.7
    n-octane 38.99
    formamide 248.04
    cyclopentanone 1057.51
    2-pentanone 725.39
    anisole 346.11
    cyclopentyl methyl ether 660.08
    gamma-butyrolactone 1071.83
    1-methoxy-2-propanol 809.98
    pyridine 862.47
    3-pentanone 435.11
    furfural 681.16
    n-dodecane 28.62
    diethylene glycol 437.05
    diisopropyl ether 271.57
    tert-amyl alcohol 697.87
    acetylacetone 603.09
    n-hexadecane 33.02
    acetophenone 244.34
    methyl propionate 554.45
    isopentyl acetate 536.02
    trichloroethylene 1244.09
    n-nonanol 258.6
    cyclohexanol 527.52
    benzyl alcohol 239.02
    2-ethylhexanol 381.44
    isooctanol 260.26
    dipropyl ether 525.84
    1,2-dichlorobenzene 317.7
    ethyl lactate 159.79
    propylene carbonate 547.81
    n-methylformamide 448.59
    2-pentanol 584.61
    n-pentane 88.97
    1-propoxy-2-propanol 678.11
    1-methoxy-2-propyl acetate 515.82
    2-(2-methoxypropoxy) propanol 350.24
    mesitylene 183.17
    ε-caprolactone 671.76
    p-cymene 166.08
    epichlorohydrin 1216.21
    1,1,1-trichloroethane 924.54
    2-aminoethanol 350.82
    morpholine-4-carbaldehyde 651.33
    sulfolane 669.19
    2,2,4-trimethylpentane 53.49
    2-methyltetrahydrofuran 1363.6
    n-hexyl acetate 449.87
    isooctane 63.3
    2-(2-butoxyethoxy)ethanol 559.43
    sec-butyl acetate 260.32
    tert-butyl acetate 516.83
    decalin 54.25
    glycerin 247.39
    diglyme 897.79
    acrylic acid 309.87
    isopropyl myristate 182.27
    n-butyric acid 893.08
    acetyl acetate 396.08
    di(2-ethylhexyl) phthalate 144.77
    ethyl propionate 340.35
    nitromethane 914.92
    1,2-diethoxyethane 650.31
    benzonitrile 395.39
    trioctyl phosphate 129.27
    1-bromopropane 659.18
    gamma-valerolactone 1119.34
    n-decanol 188.78
    triethyl phosphate 139.65
    4-methyl-2-pentanol 334.01
    propionitrile 965.62
    vinylene carbonate 516.13
    1,1,2-trichlorotrifluoroethane 454.45
    DMS 244.71
    cumene 122.57
    2-octanol 224.89
    2-hexanone 374.38
    octyl acetate 220.66
    limonene 241.23
    1,2-dimethoxyethane 745.3
    ethyl orthosilicate 147.43
    tributyl phosphate 143.05
    diacetone alcohol 511.56
    N,N-dimethylaniline 186.94
    acrylonitrile 789.51
    aniline 454.58
    1,3-propanediol 621.57
    bromobenzene 440.89
    dibromomethane 972.07
    1,1,2,2-tetrachloroethane 791.52
    2-methyl-cyclohexyl acetate 268.72
    tetrabutyl urea 158.84
    diisobutyl methanol 239.2
    2-phenylethanol 337.99
    styrene 180.86
    dioctyl adipate 194.85
    dimethyl sulfate 208.66
    ethyl butyrate 434.09
    methyl lactate 210.92
    butyl lactate 238.78
    diethyl carbonate 234.62
    propanediol butyl ether 389.52
    triethyl orthoformate 263.23
    p-tert-butyltoluene 177.72
    methyl 4-tert-butylbenzoate 298.81
    morpholine 1767.54
    tert-butylamine 887.11
    n-dodecanol 141.68
    dimethoxymethane 595.79
    ethylene carbonate 456.48
    cyrene 241.33
    2-ethoxyethyl acetate 411.84
    2-ethylhexyl acetate 378.09
    1,2,4-trichlorobenzene 342.99
    4-methylpyridine 708.55
    dibutyl ether 329.76
    2,6-dimethyl-4-heptanol 239.2
    DEF 487.52
    dimethyl isosorbide 544.24
    tetrachloroethylene 484.93
    eugenol 259.43
    triacetin 311.04
    span 80 345.18
    1,4-butanediol 154.73
    1,1-dichloroethane 1155.14
    2-methyl-1-pentanol 296.65
    methyl formate 344.14
    2-methyl-1-butanol 603.76
    n-decane 53.9
    butyronitrile 1029.39
    3,7-dimethyl-1-octanol 279.21
    1-chlorooctane 195.39
    1-chlorotetradecane 70.8
    n-nonane 52.99
    undecane 38.0
    tert-butylcyclohexane 58.61
    cyclooctane 47.97
    cyclopentanol 638.7
    tetrahydropyran 1584.39
    tert-amyl methyl ether 435.35
    2,5,8-trioxanonane 546.88
    1-hexene 189.3
    2-isopropoxyethanol 342.87
    2,2,2-trifluoroethanol 174.34
    methyl butyrate 421.04

    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