3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene-

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  • Identifiers

    CAS number
    104864-90-6

    Molecular formula
    C14H24O

    SMILES
    CC1=CCC(C1(C)C)C(=C)CC(C)CO

  • Odor profile

    Fragrance
    Woody 88.14%
    Sandalwood 60.04%
    Amber 49.09%
    Dry 41.97%
    Vetiver 39.81%
    Waxy 38.25%
    Cedar 37.03%
    Balsamic 32.1%
    Musk 31.39%
    Orris 30.52%

     

    Flavor
    Woody 68.46%
    Floral 47.4%
    Herbal 43.33%
    Sweet 40.56%
    Wood 37.21%
    Balsam 31.08%
    Citrus 30.79%
    Herb 29.71%
    Tropical 28.82%
    Fresh 26.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.08 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 117.33 ˚C est.

  • Synonyms

    • 104864-90-6
    • 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol
    • 4-PENTEN-1-OL,2-METHYL-4-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-
    • 3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene-
    • 3-Cyclopentene-1-butanol, .beta.,2,2,3-tetramethyl-.delta.-methylene-
    • DGHXZJZALPECTJ-UHFFFAOYSA-N
    • SCHEMBL248330
    • DTXSID0051310
    • NS00019585
    • Firsantol

  • Applications

    3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene- (CAS 104864-90-6) is primarily used as a specialty chemical intermediate and building block in organic synthesis; in perfumery and cosmetics it may serve as a fragrance intermediate or odor-active component, contributing to woody and green notes; in industrial manufacturing it can function as a solvent or processing aid for coatings, inks, and cleaners; it may also be a starting material for synthesizing more complex cyclic or branched compounds used in polymers/plastics, potentially as a resin modifier; and it may be evaluated as an intermediate for specialty formulations or as a reactive site for polymerization or crosslinking in selected systems, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3197.88
    methanol 2246.55
    isopropanol 3558.59
    water 2.23
    ethyl acetate 2805.95
    n-propanol 3021.98
    acetone 2174.18
    n-butanol 3005.33
    acetonitrile 1883.05
    DMF 1804.79
    toluene 1359.95
    isobutanol 2147.47
    1,4-dioxane 3924.09
    methyl acetate 1685.67
    THF 4997.44
    2-butanone 2004.85
    n-pentanol 1187.97
    sec-butanol 2320.09
    n-hexane 235.09
    ethylene glycol 225.03
    NMP 735.35
    cyclohexane 431.2
    DMSO 952.61
    n-butyl acetate 1709.5
    n-octanol 547.83
    chloroform 3463.64
    n-propyl acetate 1131.34
    acetic acid 890.31
    dichloromethane 2372.6
    cyclohexanone 1718.29
    propylene glycol 550.2
    isopropyl acetate 1985.82
    DMAc 1106.73
    2-ethoxyethanol 1445.72
    isopentanol 2329.6
    n-heptane 158.79
    ethyl formate 1149.01
    1,2-dichloroethane 1582.66
    n-hexanol 1989.29
    2-methoxyethanol 2818.69
    isobutyl acetate 748.56
    tetrachloromethane 945.05
    n-pentyl acetate 789.73
    transcutol 4378.39
    n-heptanol 702.54
    ethylbenzene 533.21
    MIBK 1303.08
    2-propoxyethanol 2449.03
    tert-butanol 4129.83
    MTBE 4487.47
    2-butoxyethanol 1154.06
    propionic acid 959.94
    o-xylene 621.7
    formic acid 272.03
    diethyl ether 3696.75
    m-xylene 909.12
    p-xylene 658.86
    chlorobenzene 1069.58
    dimethyl carbonate 530.76
    n-octane 53.25
    formamide 562.83
    cyclopentanone 1836.26
    2-pentanone 1988.34
    anisole 1119.44
    cyclopentyl methyl ether 1961.59
    gamma-butyrolactone 1771.9
    1-methoxy-2-propanol 2639.05
    pyridine 2020.35
    3-pentanone 1166.88
    furfural 1316.35
    n-dodecane 29.18
    diethylene glycol 1044.53
    diisopropyl ether 1117.42
    tert-amyl alcohol 2459.35
    acetylacetone 1489.46
    n-hexadecane 34.48
    acetophenone 664.95
    methyl propionate 1433.4
    isopentyl acetate 1548.59
    trichloroethylene 2611.03
    n-nonanol 449.17
    cyclohexanol 1437.84
    benzyl alcohol 679.56
    2-ethylhexanol 910.02
    isooctanol 577.81
    dipropyl ether 1376.45
    1,2-dichlorobenzene 825.78
    ethyl lactate 404.65
    propylene carbonate 1058.69
    n-methylformamide 1117.58
    2-pentanol 1998.24
    n-pentane 351.61
    1-propoxy-2-propanol 1830.05
    1-methoxy-2-propyl acetate 1596.05
    2-(2-methoxypropoxy) propanol 784.83
    mesitylene 566.29
    ε-caprolactone 1483.38
    p-cymene 366.59
    epichlorohydrin 2435.47
    1,1,1-trichloroethane 2206.43
    2-aminoethanol 854.58
    morpholine-4-carbaldehyde 1500.06
    sulfolane 1064.72
    2,2,4-trimethylpentane 172.02
    2-methyltetrahydrofuran 3214.86
    n-hexyl acetate 976.01
    isooctane 198.94
    2-(2-butoxyethoxy)ethanol 1249.08
    sec-butyl acetate 948.85
    tert-butyl acetate 1845.76
    decalin 153.93
    glycerin 563.47
    diglyme 2170.35
    acrylic acid 540.51
    isopropyl myristate 340.87
    n-butyric acid 2016.48
    acetyl acetate 1110.32
    di(2-ethylhexyl) phthalate 285.21
    ethyl propionate 1005.98
    nitromethane 1342.95
    1,2-diethoxyethane 2009.48
    benzonitrile 885.34
    trioctyl phosphate 214.91
    1-bromopropane 1492.41
    gamma-valerolactone 2237.72
    n-decanol 300.29
    triethyl phosphate 333.95
    4-methyl-2-pentanol 1153.07
    propionitrile 1867.79
    vinylene carbonate 942.99
    1,1,2-trichlorotrifluoroethane 1124.81
    DMS 593.04
    cumene 380.76
    2-octanol 455.09
    2-hexanone 999.42
    octyl acetate 401.82
    limonene 517.33
    1,2-dimethoxyethane 2270.16
    ethyl orthosilicate 384.13
    tributyl phosphate 275.92
    diacetone alcohol 1482.02
    N,N-dimethylaniline 635.7
    acrylonitrile 1456.03
    aniline 1464.86
    1,3-propanediol 1640.57
    bromobenzene 1120.54
    dibromomethane 1797.95
    1,1,2,2-tetrachloroethane 2051.27
    2-methyl-cyclohexyl acetate 625.58
    tetrabutyl urea 293.13
    diisobutyl methanol 588.85
    2-phenylethanol 940.59
    styrene 638.56
    dioctyl adipate 383.84
    dimethyl sulfate 505.74
    ethyl butyrate 1093.77
    methyl lactate 547.09
    butyl lactate 534.59
    diethyl carbonate 625.08
    propanediol butyl ether 860.62
    triethyl orthoformate 728.33
    p-tert-butyltoluene 410.89
    methyl 4-tert-butylbenzoate 659.19
    morpholine 4494.35
    tert-butylamine 3265.86
    n-dodecanol 211.04
    dimethoxymethane 2004.74
    ethylene carbonate 940.89
    cyrene 502.97
    2-ethoxyethyl acetate 1054.38
    2-ethylhexyl acetate 1094.15
    1,2,4-trichlorobenzene 912.04
    4-methylpyridine 2052.72
    dibutyl ether 736.17
    2,6-dimethyl-4-heptanol 588.85
    DEF 1479.24
    dimethyl isosorbide 1150.15
    tetrachloroethylene 1379.02
    eugenol 584.71
    triacetin 654.47
    span 80 628.21
    1,4-butanediol 407.09
    1,1-dichloroethane 2319.39
    2-methyl-1-pentanol 994.26
    methyl formate 704.17
    2-methyl-1-butanol 1925.3
    n-decane 63.26
    butyronitrile 2232.83
    3,7-dimethyl-1-octanol 620.01
    1-chlorooctane 302.27
    1-chlorotetradecane 96.12
    n-nonane 64.15
    undecane 40.96
    tert-butylcyclohexane 180.01
    cyclooctane 142.89
    cyclopentanol 1306.6
    tetrahydropyran 4187.9
    tert-amyl methyl ether 1896.44
    2,5,8-trioxanonane 1154.28
    1-hexene 794.27
    2-isopropoxyethanol 1036.86
    2,2,2-trifluoroethanol 318.34
    methyl butyrate 1109.62

    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