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

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  • Identifiers

    CAS number
    72089-08-8

    Molecular formula
    C13H24O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 83.96%
    Sandalwood 59.99%
    Waxy 49.89%
    Amber 45.09%
    Dry 39.65%
    Herbal 39.15%
    Balsamic 37.01%
    Vetiver 35.66%
    Floral 33.09%
    Oily 32.85%

     

    Flavor
    Woody 69.59%
    Floral 55.91%
    Sweet 50.26%
    Herbal 46.95%
    Citrus 41.57%
    Green 37.61%
    Balsam 35.25%
    Wood 33.58%
    Herb 33.48%
    Fresh 30.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.79 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    263°C

    Flash point

    • 110.51 ˚C est.

  • Synonyms

    • 72089-08-8
    • 2-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-1-ol
    • 3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
    • beta,2,2,3-Tetramethylcyclopent-3-ene-1-butanol
    • DTXSID60888048
    • EINECS 276-333-2
    • 3-Cyclopentene-1-butanol, .beta.,2,2,3-tetramethyl-
    • BRAHMAWOOD
    • SCHEMBL295709
    • CYVGAJHMMVDTDZ-UHFFFAOYSA-N
    • 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-1-butanol
    • DTXCID801027330
    • DB-243104
    • NS00013230

  • Applications

    3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl- (CAS 72089-08-8) is a chemical intermediate and fragrance ingredient used across several industries. It may function as a fragrance component and odorant for perfumery and consumer products; as an intermediate in the synthesis of fragrance and flavor compounds for the flavor and beverage sectors; as an ingredient or precursor in cosmetics and personal care formulations; as an industrial manufacturing intermediate for the synthesis of specialty chemicals; as a solvent or processing aid in coatings and inks formulations; and as a potential precursor or processing aid for certain polymer and plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2804.3
    methanol 1909.65
    isopropanol 2857.54
    water 3.59
    ethyl acetate 3628.32
    n-propanol 2477.03
    acetone 2248.58
    n-butanol 2632.88
    acetonitrile 2316.85
    DMF 1459.82
    toluene 1347.39
    isobutanol 1714.14
    1,4-dioxane 4459.07
    methyl acetate 2048.84
    THF 4106.41
    2-butanone 2098.09
    n-pentanol 990.25
    sec-butanol 1847.58
    n-hexane 274.59
    ethylene glycol 231.22
    NMP 534.02
    cyclohexane 590.05
    DMSO 927.79
    n-butyl acetate 1804.96
    n-octanol 482.52
    chloroform 3684.27
    n-propyl acetate 1312.42
    acetic acid 992.18
    dichloromethane 2607.93
    cyclohexanone 1635.37
    propylene glycol 525.46
    isopropyl acetate 2256.2
    DMAc 985.53
    2-ethoxyethanol 1419.7
    isopentanol 2065.53
    n-heptane 199.24
    ethyl formate 1322.4
    1,2-dichloroethane 1728.22
    n-hexanol 1550.07
    2-methoxyethanol 2720.12
    isobutyl acetate 814.84
    tetrachloromethane 1077.86
    n-pentyl acetate 781.22
    transcutol 4731.43
    n-heptanol 591.46
    ethylbenzene 546.81
    MIBK 1268.61
    2-propoxyethanol 2042.12
    tert-butanol 3535.52
    MTBE 4211.78
    2-butoxyethanol 1043.23
    propionic acid 1091.83
    o-xylene 687.46
    formic acid 296.21
    diethyl ether 3929.1
    m-xylene 880.24
    p-xylene 687.38
    chlorobenzene 1067.11
    dimethyl carbonate 549.83
    n-octane 66.14
    formamide 726.13
    cyclopentanone 1515.01
    2-pentanone 2050.44
    anisole 1220.65
    cyclopentyl methyl ether 1686.92
    gamma-butyrolactone 1574.46
    1-methoxy-2-propanol 2346.23
    pyridine 2272.95
    3-pentanone 1325.41
    furfural 1366.1
    n-dodecane 36.1
    diethylene glycol 977.62
    diisopropyl ether 1191.1
    tert-amyl alcohol 2148.51
    acetylacetone 1770.8
    n-hexadecane 42.91
    acetophenone 722.37
    methyl propionate 1628.87
    isopentyl acetate 1509.25
    trichloroethylene 2744.6
    n-nonanol 441.16
    cyclohexanol 1336.05
    benzyl alcohol 699.05
    2-ethylhexanol 806.6
    isooctanol 512.54
    dipropyl ether 1391.95
    1,2-dichlorobenzene 903.76
    ethyl lactate 406.78
    propylene carbonate 1036.7
    n-methylformamide 1103.54
    2-pentanol 1805.94
    n-pentane 398.09
    1-propoxy-2-propanol 1584.66
    1-methoxy-2-propyl acetate 1667.76
    2-(2-methoxypropoxy) propanol 861.81
    mesitylene 605.53
    ε-caprolactone 1522.33
    p-cymene 378.52
    epichlorohydrin 2144.39
    1,1,1-trichloroethane 2342.91
    2-aminoethanol 849.06
    morpholine-4-carbaldehyde 1393.7
    sulfolane 918.41
    2,2,4-trimethylpentane 190.27
    2-methyltetrahydrofuran 2786.89
    n-hexyl acetate 921.71
    isooctane 224.07
    2-(2-butoxyethoxy)ethanol 1280.47
    sec-butyl acetate 1069.49
    tert-butyl acetate 2045.23
    decalin 196.66
    glycerin 521.99
    diglyme 2378.8
    acrylic acid 639.91
    isopropyl myristate 362.83
    n-butyric acid 2219.46
    acetyl acetate 1526.88
    di(2-ethylhexyl) phthalate 285.33
    ethyl propionate 1204.94
    nitromethane 1648.3
    1,2-diethoxyethane 2233.76
    benzonitrile 951.68
    trioctyl phosphate 203.53
    1-bromopropane 1472.34
    gamma-valerolactone 2137.33
    n-decanol 303.73
    triethyl phosphate 378.42
    4-methyl-2-pentanol 1062.02
    propionitrile 2117.31
    vinylene carbonate 1011.07
    1,1,2-trichlorotrifluoroethane 1117.89
    DMS 639.47
    cumene 390.81
    2-octanol 379.46
    2-hexanone 1042.67
    octyl acetate 407.0
    limonene 510.06
    1,2-dimethoxyethane 2580.42
    ethyl orthosilicate 437.49
    tributyl phosphate 269.96
    diacetone alcohol 1427.96
    N,N-dimethylaniline 651.85
    acrylonitrile 1706.91
    aniline 1497.66
    1,3-propanediol 1599.6
    bromobenzene 1169.69
    dibromomethane 1947.83
    1,1,2,2-tetrachloroethane 2204.74
    2-methyl-cyclohexyl acetate 674.0
    tetrabutyl urea 269.13
    diisobutyl methanol 554.63
    2-phenylethanol 881.47
    styrene 699.86
    dioctyl adipate 428.0
    dimethyl sulfate 495.48
    ethyl butyrate 1319.03
    methyl lactate 552.43
    butyl lactate 525.73
    diethyl carbonate 806.53
    propanediol butyl ether 788.28
    triethyl orthoformate 886.3
    p-tert-butyltoluene 428.44
    methyl 4-tert-butylbenzoate 687.22
    morpholine 4686.56
    tert-butylamine 2851.79
    n-dodecanol 216.71
    dimethoxymethane 1904.97
    ethylene carbonate 1033.84
    cyrene 439.24
    2-ethoxyethyl acetate 1119.64
    2-ethylhexyl acetate 1095.78
    1,2,4-trichlorobenzene 952.39
    4-methylpyridine 2004.06
    dibutyl ether 794.53
    2,6-dimethyl-4-heptanol 554.63
    DEF 1460.12
    dimethyl isosorbide 1152.9
    tetrachloroethylene 1551.32
    eugenol 589.61
    triacetin 784.9
    span 80 649.94
    1,4-butanediol 373.94
    1,1-dichloroethane 2436.43
    2-methyl-1-pentanol 841.27
    methyl formate 646.04
    2-methyl-1-butanol 1657.22
    n-decane 76.72
    butyronitrile 2300.48
    3,7-dimethyl-1-octanol 590.71
    1-chlorooctane 292.75
    1-chlorotetradecane 100.73
    n-nonane 77.77
    undecane 49.18
    tert-butylcyclohexane 199.91
    cyclooctane 208.14
    cyclopentanol 1034.88
    tetrahydropyran 4028.11
    tert-amyl methyl ether 1707.8
    2,5,8-trioxanonane 1362.59
    1-hexene 798.3
    2-isopropoxyethanol 1002.43
    2,2,2-trifluoroethanol 365.33
    methyl butyrate 1370.93

    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