2-Methyl-1-(1-methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-ol

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  • Identifiers

    CAS number
    85232-76-4

    Molecular formula
    C14H22O

    SMILES
    CCC(/C(=C/C1CC2CC1(C=C2)C)/C)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 78.81%
    Sandalwood 57.04%
    Sweet 44.56%
    Amber 40.13%
    Powdery 37.32%
    Balsamic 36.19%
    Floral 32.27%
    Dry 31.11%
    Musk 28.83%
    Berry 28.22%

     

    Flavor
    Woody 49.65%
    Sweet 45.76%
    Herbal 39.08%
    Wood 30.33%
    Balsam 29.93%
    Herb 29.88%
    Spicy 28.14%
    Floral 27.24%
    Fruity 25.62%
    Tropical 25.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.28 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point

    • 115.07 ˚C est.

  • Synonyms

    • 85232-76-4
    • 2-Methyl-1-(1-methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-ol
    • EINECS 286-397-3
    • 1-Penten-3-ol, 2-methyl-1-(1-methylbicyclo(2.2.1)hept-5-en-2-yl)-
    • 2-METHYL-1-(1-METHYLBICYCLO[2.2.1]HEPT-5-EN-2-YL)PENT-1-EN-3-OL
    • RefChem:87984
    • 286-397-3
    • (E)-2-methyl-1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol
    • SCHEMBL7750476
    • HBRAQFPKBXTVBT-JXMROGBWSA-N
    • (E)-2-methyl-1-(1-methylbicyclo[2.2.1]hept-5-en-2-yl)pent-1-en-3-ol
    • 85232-76-4

  • Applications

    2-Methyl-1-(1-methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-ol (CAS 85232-76-4) is used primarily as a fragrance/odorant component and may be incorporated in perfumery, cosmetics, and household products as a scent ingredient; it also can serve as an intermediate in fragrance chemistry for the synthesis of related aroma compounds. In addition, it can function as a chiral building block for specialty chemical syntheses used in polymers or coatings, and may be considered for flavor applications at permitted levels where allowed. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1752.41
    methanol 959.64
    isopropanol 2054.8
    water 2.12
    ethyl acetate 2095.73
    n-propanol 1435.4
    acetone 1614.85
    n-butanol 1621.42
    acetonitrile 1113.03
    DMF 939.45
    toluene 798.08
    isobutanol 1169.65
    1,4-dioxane 2336.5
    methyl acetate 1316.91
    THF 2627.37
    2-butanone 1384.25
    n-pentanol 603.74
    sec-butanol 1060.54
    n-hexane 107.46
    ethylene glycol 144.22
    NMP 257.8
    cyclohexane 209.39
    DMSO 398.52
    n-butyl acetate 1045.91
    n-octanol 340.01
    chloroform 1917.27
    n-propyl acetate 757.82
    acetic acid 517.22
    dichloromethane 1324.86
    cyclohexanone 936.3
    propylene glycol 309.36
    isopropyl acetate 1519.03
    DMAc 676.28
    2-ethoxyethanol 884.41
    isopentanol 1394.89
    n-heptane 80.52
    ethyl formate 700.97
    1,2-dichloroethane 888.07
    n-hexanol 973.37
    2-methoxyethanol 1718.3
    isobutyl acetate 606.2
    tetrachloromethane 346.73
    n-pentyl acetate 483.77
    transcutol 3328.01
    n-heptanol 371.33
    ethylbenzene 354.51
    MIBK 984.88
    2-propoxyethanol 1477.89
    tert-butanol 1856.16
    MTBE 2458.8
    2-butoxyethanol 732.86
    propionic acid 529.0
    o-xylene 394.62
    formic acid 145.73
    diethyl ether 2503.11
    m-xylene 575.41
    p-xylene 450.37
    chlorobenzene 575.37
    dimethyl carbonate 466.71
    n-octane 41.07
    formamide 303.49
    cyclopentanone 950.11
    2-pentanone 1468.47
    anisole 760.85
    cyclopentyl methyl ether 1022.26
    gamma-butyrolactone 871.38
    1-methoxy-2-propanol 1653.21
    pyridine 1138.0
    3-pentanone 848.92
    furfural 683.37
    n-dodecane 32.12
    diethylene glycol 801.57
    diisopropyl ether 744.33
    tert-amyl alcohol 977.77
    acetylacetone 1269.04
    n-hexadecane 37.25
    acetophenone 470.32
    methyl propionate 1087.18
    isopentyl acetate 1075.78
    trichloroethylene 1438.98
    n-nonanol 310.31
    cyclohexanol 667.15
    benzyl alcohol 439.91
    2-ethylhexanol 464.5
    isooctanol 317.16
    dipropyl ether 729.5
    1,2-dichlorobenzene 447.79
    ethyl lactate 273.15
    propylene carbonate 631.1
    n-methylformamide 505.59
    2-pentanol 1129.46
    n-pentane 193.58
    1-propoxy-2-propanol 1075.93
    1-methoxy-2-propyl acetate 1161.83
    2-(2-methoxypropoxy) propanol 612.06
    mesitylene 369.53
    ε-caprolactone 865.75
    p-cymene 224.0
    epichlorohydrin 1274.16
    1,1,1-trichloroethane 1033.62
    2-aminoethanol 457.63
    morpholine-4-carbaldehyde 810.63
    sulfolane 461.87
    2,2,4-trimethylpentane 89.01
    2-methyltetrahydrofuran 1595.69
    n-hexyl acetate 695.2
    isooctane 113.29
    2-(2-butoxyethoxy)ethanol 962.69
    sec-butyl acetate 701.65
    tert-butyl acetate 1313.89
    decalin 89.72
    glycerin 353.03
    diglyme 1618.06
    acrylic acid 314.19
    isopropyl myristate 295.3
    n-butyric acid 1225.11
    acetyl acetate 929.02
    di(2-ethylhexyl) phthalate 217.96
    ethyl propionate 725.04
    nitromethane 822.46
    1,2-diethoxyethane 1380.31
    benzonitrile 526.98
    trioctyl phosphate 166.19
    1-bromopropane 796.85
    gamma-valerolactone 1316.94
    n-decanol 227.7
    triethyl phosphate 216.55
    4-methyl-2-pentanol 751.64
    propionitrile 1034.17
    vinylene carbonate 631.1
    1,1,2-trichlorotrifluoroethane 584.29
    DMS 508.61
    cumene 255.14
    2-octanol 254.3
    2-hexanone 620.79
    octyl acetate 324.04
    limonene 283.15
    1,2-dimethoxyethane 1488.32
    ethyl orthosilicate 241.73
    tributyl phosphate 206.78
    diacetone alcohol 986.09
    N,N-dimethylaniline 391.03
    acrylonitrile 821.42
    aniline 733.83
    1,3-propanediol 972.04
    bromobenzene 627.11
    dibromomethane 931.25
    1,1,2,2-tetrachloroethane 1070.41
    2-methyl-cyclohexyl acetate 420.21
    tetrabutyl urea 213.55
    diisobutyl methanol 354.92
    2-phenylethanol 588.46
    styrene 424.17
    dioctyl adipate 315.96
    dimethyl sulfate 306.36
    ethyl butyrate 721.78
    methyl lactate 389.68
    butyl lactate 356.39
    diethyl carbonate 441.48
    propanediol butyl ether 571.48
    triethyl orthoformate 456.66
    p-tert-butyltoluene 250.3
    methyl 4-tert-butylbenzoate 456.62
    morpholine 2289.26
    tert-butylamine 1265.25
    n-dodecanol 176.82
    dimethoxymethane 1482.09
    ethylene carbonate 630.21
    cyrene 317.29
    2-ethoxyethyl acetate 818.76
    2-ethylhexyl acetate 700.27
    1,2,4-trichlorobenzene 482.31
    4-methylpyridine 1158.76
    dibutyl ether 523.79
    2,6-dimethyl-4-heptanol 354.92
    DEF 882.93
    dimethyl isosorbide 745.07
    tetrachloroethylene 710.57
    eugenol 414.98
    triacetin 548.82
    span 80 459.05
    1,4-butanediol 245.9
    1,1-dichloroethane 1303.99
    2-methyl-1-pentanol 534.18
    methyl formate 346.04
    2-methyl-1-butanol 973.7
    n-decane 56.69
    butyronitrile 1226.76
    3,7-dimethyl-1-octanol 421.59
    1-chlorooctane 203.5
    1-chlorotetradecane 87.14
    n-nonane 53.92
    undecane 41.02
    tert-butylcyclohexane 95.65
    cyclooctane 83.23
    cyclopentanol 550.73
    tetrahydropyran 2240.68
    tert-amyl methyl ether 963.02
    2,5,8-trioxanonane 918.73
    1-hexene 394.39
    2-isopropoxyethanol 714.6
    2,2,2-trifluoroethanol 208.17
    methyl butyrate 824.73

    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