3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-

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  • Identifiers

    CAS number
    72403-68-0

    Molecular formula
    C13H22O

    SMILES
    CC(=CCCC1=CCC[C@@H](C1)CO)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 81.89%
    Fresh 57.21%
    Citrus 54.47%
    Fruity 45.0%
    Waxy 44.67%
    Aldehydic 43.3%
    Rose 43.29%
    Green 43.24%
    Muguet 43.01%
    Lily 42.83%

     

    Flavor
    Floral 47.86%
    Herbal 47.81%
    Fresh 44.64%
    Spicy 42.27%
    Green 40.03%
    Spice 33.07%
    Woody 31.82%
    Herb 29.89%
    Citrus 29.74%
    Sweet 29.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.62 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 123.43 ˚C est.

  • Synonyms

    • 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-pentenyl)-
    • 72403-68-0
    • 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-
    • RefChem:278768
    • OCWPZKYJUSNHGL-ZDUSSCGKSA-N
    • 72403-68-0

  • Applications

    The chemical name is 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-; CAS 72403-68-0. This compound serves as a useful intermediate in the synthesis of fragrance compounds and as a functional building block for specialty polymers. Real-world applications span multiple industries, including perfumery where it can act as an odor active intermediate or fragrance precursor; cosmetics and personal care where it may be used as a fragrance ingredient or precursor; polymers and plastics where its cyclohexene moiety provides reactive functionality as a monomer or crosslinking unit; coatings and inks where it can serve as a monomer or a component in UV-curable formulations; and adhesives where it participates as a reactive monomer in polymer formulations. Use should be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1904.8
    methanol 1016.86
    isopropanol 1678.05
    water 0.11
    ethyl acetate 1813.25
    n-propanol 1490.97
    acetone 1066.89
    n-butanol 1763.62
    acetonitrile 744.58
    DMF 395.92
    toluene 564.61
    isobutanol 882.89
    1,4-dioxane 2174.96
    methyl acetate 816.95
    THF 2219.0
    2-butanone 1079.16
    n-pentanol 798.81
    sec-butanol 1093.93
    n-hexane 220.61
    ethylene glycol 63.58
    NMP 173.83
    cyclohexane 338.31
    DMSO 507.65
    n-butyl acetate 1120.1
    n-octanol 240.64
    chloroform 1428.04
    n-propyl acetate 688.19
    acetic acid 420.9
    dichloromethane 1143.45
    cyclohexanone 835.79
    propylene glycol 195.15
    isopropyl acetate 931.01
    DMAc 333.79
    2-ethoxyethanol 807.2
    isopentanol 1301.92
    n-heptane 160.25
    ethyl formate 455.26
    1,2-dichloroethane 899.3
    n-hexanol 1193.94
    2-methoxyethanol 1348.69
    isobutyl acetate 411.75
    tetrachloromethane 235.77
    n-pentyl acetate 403.73
    transcutol 3182.89
    n-heptanol 331.3
    ethylbenzene 196.0
    MIBK 640.1
    2-propoxyethanol 1309.96
    tert-butanol 1738.46
    MTBE 1918.18
    2-butoxyethanol 570.29
    propionic acid 353.19
    o-xylene 220.32
    formic acid 71.35
    diethyl ether 2886.15
    m-xylene 339.26
    p-xylene 201.42
    chlorobenzene 356.47
    dimethyl carbonate 120.92
    n-octane 45.0
    formamide 113.38
    cyclopentanone 638.3
    2-pentanone 1252.12
    anisole 387.22
    cyclopentyl methyl ether 927.36
    gamma-butyrolactone 531.42
    1-methoxy-2-propanol 1095.29
    pyridine 979.69
    3-pentanone 632.8
    furfural 462.63
    n-dodecane 24.22
    diethylene glycol 486.31
    diisopropyl ether 609.08
    tert-amyl alcohol 950.41
    acetylacetone 655.54
    n-hexadecane 28.01
    acetophenone 254.52
    methyl propionate 615.52
    isopentyl acetate 886.63
    trichloroethylene 1163.74
    n-nonanol 221.76
    cyclohexanol 748.4
    benzyl alcohol 281.4
    2-ethylhexanol 539.57
    isooctanol 256.86
    dipropyl ether 1184.57
    1,2-dichlorobenzene 261.01
    ethyl lactate 160.56
    propylene carbonate 347.93
    n-methylformamide 231.7
    2-pentanol 1160.32
    n-pentane 286.3
    1-propoxy-2-propanol 1057.95
    1-methoxy-2-propyl acetate 786.47
    2-(2-methoxypropoxy) propanol 390.95
    mesitylene 190.84
    ε-caprolactone 676.93
    p-cymene 149.88
    epichlorohydrin 1061.52
    1,1,1-trichloroethane 775.67
    2-aminoethanol 274.9
    morpholine-4-carbaldehyde 521.69
    sulfolane 369.69
    2,2,4-trimethylpentane 74.52
    2-methyltetrahydrofuran 1531.71
    n-hexyl acetate 466.73
    isooctane 89.13
    2-(2-butoxyethoxy)ethanol 716.92
    sec-butyl acetate 468.31
    tert-butyl acetate 772.6
    decalin 85.21
    glycerin 201.04
    diglyme 1282.45
    acrylic acid 171.49
    isopropyl myristate 170.61
    n-butyric acid 1124.19
    acetyl acetate 500.66
    di(2-ethylhexyl) phthalate 131.19
    ethyl propionate 485.23
    nitromethane 461.92
    1,2-diethoxyethane 1610.62
    benzonitrile 343.59
    trioctyl phosphate 100.23
    1-bromopropane 1021.98
    gamma-valerolactone 892.83
    n-decanol 159.4
    triethyl phosphate 160.99
    4-methyl-2-pentanol 527.43
    propionitrile 764.84
    vinylene carbonate 283.97
    1,1,2-trichlorotrifluoroethane 438.54
    DMS 235.51
    cumene 132.04
    2-octanol 185.75
    2-hexanone 644.04
    octyl acetate 195.87
    limonene 258.09
    1,2-dimethoxyethane 1406.85
    ethyl orthosilicate 198.67
    tributyl phosphate 132.02
    diacetone alcohol 616.06
    N,N-dimethylaniline 199.94
    acrylonitrile 464.52
    aniline 491.91
    1,3-propanediol 676.49
    bromobenzene 382.63
    dibromomethane 935.1
    1,1,2,2-tetrachloroethane 941.44
    2-methyl-cyclohexyl acetate 319.16
    tetrabutyl urea 142.68
    diisobutyl methanol 328.47
    2-phenylethanol 369.67
    styrene 261.06
    dioctyl adipate 206.73
    dimethyl sulfate 110.82
    ethyl butyrate 703.12
    methyl lactate 160.22
    butyl lactate 244.04
    diethyl carbonate 335.29
    propanediol butyl ether 368.96
    triethyl orthoformate 432.48
    p-tert-butyltoluene 159.04
    methyl 4-tert-butylbenzoate 242.73
    morpholine 2458.01
    tert-butylamine 1323.01
    n-dodecanol 119.47
    dimethoxymethane 826.5
    ethylene carbonate 313.04
    cyrene 197.37
    2-ethoxyethyl acetate 586.19
    2-ethylhexyl acetate 598.86
    1,2,4-trichlorobenzene 280.56
    4-methylpyridine 840.34
    dibutyl ether 580.23
    2,6-dimethyl-4-heptanol 328.47
    DEF 686.38
    dimethyl isosorbide 522.49
    tetrachloroethylene 602.59
    eugenol 225.73
    triacetin 323.48
    span 80 333.89
    1,4-butanediol 163.4
    1,1-dichloroethane 1092.25
    2-methyl-1-pentanol 559.75
    methyl formate 135.32
    2-methyl-1-butanol 943.37
    n-decane 51.31
    butyronitrile 1193.51
    3,7-dimethyl-1-octanol 282.87
    1-chlorooctane 177.76
    1-chlorotetradecane 60.08
    n-nonane 53.33
    undecane 33.04
    tert-butylcyclohexane 86.1
    cyclooctane 102.38
    cyclopentanol 461.15
    tetrahydropyran 2699.05
    tert-amyl methyl ether 838.82
    2,5,8-trioxanonane 670.14
    1-hexene 710.86
    2-isopropoxyethanol 560.21
    2,2,2-trifluoroethanol 72.94
    methyl butyrate 634.96

    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