Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    4028-59-5

    Molecular formula
    C10H18O

    SMILES
    CC1C(CCC1(C)O)C(=C)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1525.0

  • Odor profile

    Herbal 64.53%
    Woody 59.52%
    Citrus 53.44%
    Spicy 51.33%
    Camphoreous 48.28%
    Sweet 46.91%
    Mint 46.61%
    Earthy 45.45%
    Fresh 44.53%
    Pine 42.61%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    10.31 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    207°C

    Flash point est.
    69.75 ˚C

  • Synonyms

    • 72402-00-7
    • Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-
    • 4028-59-5
    • 1,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
    • EINECS 276-639-6
    • 3-Isopropenyl-1,2-dimethylcyclopentan-1-ol
    • 1,2-Dimethyl-3-(1-methylethenyl)cyclopentanol
    • DTXSID10868138
    • 1,2-dimethyl-3-(prop-1-en-2-yl)cyclopentan-1-ol
    • Plinol A
    • (-)-Plinol A
    • 4099-07-4
    • clary alcohol
    • SCHEMBL296212
    • DTXCID90816273
    • Cyclopentanol, 3-isopropenyl-1,2-dimethyl-, (1R,2S,3R)-(-)-
    • 1,2-Dimethyl-3-(1-methylethenyl)cyclopentanol (1R-(1alpha,2alpha,3beta))-
    • AKOS006282034
    • Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, (1R-(1alpha,2alpha,3beta))-
    • Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, [1R-(1.alpha.,2.alpha.,3.beta.)]-
    • NS00063413
    • 1,2-DIMETHYL-3-ISOPROPYLCYCLOPENTANOL
    • EN300-1692487
    • 3-Isopropenyl-1,2-dimethylcyclopentanol-, (1R,2S,3R)-
    • Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, (1R,2S,3R)-
    • 1,2-Dimethyl-3-(1-methylethenyl)cyclopentanol (1R-(1.alpha.,2.alpha.,3.beta.))-
    • 276-639-6

  • Applications

    Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)- (CAS 4028-59-5) finds its main uses as a versatile synthesis intermediate and research material: a hydrophobic tertiary alcohol leveraged to build esters, ethers, carbonates, or carbamates to tune volatility, solubility, and oxidative stability; explored in flavor and fragrance R&D as a terpenoid scaffold for designing, screening, and profiling odorant derivatives, and as a retention marker or reference standard in GC–MS method development; employed as a hydrophobic scaffold in medicinal and agrochemical chemistry to append pharmacophores and optimize ADME/selectivity; used in studies of tertiary-alcohol oxidation/biotransformations and catalytic mechanisms; and serving as a precursor to functional additives or surface-modifying agents in organic materials after suitable derivatization.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4326.06
    methanol 4448.64
    isopropanol 4681.01
    water 18.25
    ethyl acetate 2183.01
    n-propanol 3471.6
    acetone 2196.14
    n-butanol 2990.03
    acetonitrile 2027.66
    DMF 2037.92
    toluene 845.03
    isobutanol 2586.71
    1,4-dioxane 3705.77
    methyl acetate 1844.12
    THF 4745.82
    2-butanone 1937.42
    n-pentanol 1658.81
    sec-butanol 2771.85
    n-hexane 314.4
    ethylene glycol 769.38
    NMP 787.03
    cyclohexane 294.39
    DMSO 1307.9
    n-butyl acetate 1303.68
    n-octanol 975.92
    chloroform 3141.04
    n-propyl acetate 858.47
    acetic acid 1162.47
    dichloromethane 2175.38
    cyclohexanone 1527.95
    propylene glycol 1418.92
    isopropyl acetate 1571.07
    DMAc 1297.8
    2-ethoxyethanol 1926.79
    isopentanol 2322.08
    n-heptane 234.38
    ethyl formate 1112.94
    1,2-dichloroethane 1294.93
    n-hexanol 2599.48
    2-methoxyethanol 3405.75
    isobutyl acetate 694.93
    tetrachloromethane 798.5
    n-pentyl acetate 740.06
    transcutol 3559.05
    n-heptanol 1011.44
    ethylbenzene 436.61
    MIBK 1239.34
    2-propoxyethanol 3215.79
    tert-butanol 4341.03
    MTBE 3149.33
    2-butoxyethanol 1549.82
    propionic acid 1274.43
    o-xylene 484.09
    formic acid 537.34
    diethyl ether 2495.12
    m-xylene 650.58
    p-xylene 549.49
    chlorobenzene 825.77
    dimethyl carbonate 519.05
    n-octane 113.79
    formamide 670.46
    cyclopentanone 1810.42
    2-pentanone 1669.51
    anisole 1083.39
    cyclopentyl methyl ether 1641.98
    gamma-butyrolactone 1665.95
    1-methoxy-2-propanol 3150.65
    pyridine 1456.2
    3-pentanone 978.74
    furfural 1420.17
    n-dodecane 88.53
    diethylene glycol 1917.59
    diisopropyl ether 869.92
    tert-amyl alcohol 2466.1
    acetylacetone 1468.62
    n-hexadecane 97.54
    acetophenone 629.8
    methyl propionate 1219.03
    isopentyl acetate 1198.29
    trichloroethylene 1902.12
    n-nonanol 801.29
    cyclohexanol 1413.12
    benzyl alcohol 828.1
    2-ethylhexanol 985.29
    isooctanol 790.37
    dipropyl ether 1097.43
    1,2-dichlorobenzene 638.01
    ethyl lactate 445.99
    propylene carbonate 929.8
    n-methylformamide 1338.5
    2-pentanol 2057.63
    n-pentane 381.11
    1-propoxy-2-propanol 2080.23
    1-methoxy-2-propyl acetate 1315.58
    2-(2-methoxypropoxy) propanol 906.84
    mesitylene 421.94
    ε-caprolactone 1276.72
    p-cymene 321.72
    epichlorohydrin 2285.18
    1,1,1-trichloroethane 1745.52
    2-aminoethanol 1780.56
    morpholine-4-carbaldehyde 1682.19
    sulfolane 1161.19
    2,2,4-trimethylpentane 177.51
    2-methyltetrahydrofuran 2624.1
    n-hexyl acetate 1141.98
    isooctane 219.55
    2-(2-butoxyethoxy)ethanol 1456.98
    sec-butyl acetate 726.35
    tert-butyl acetate 1532.97
    decalin 158.83
    glycerin 1279.14
    diglyme 2333.69
    acrylic acid 785.94
    isopropyl myristate 427.14
    n-butyric acid 1991.01
    acetyl acetate 963.08
    di(2-ethylhexyl) phthalate 310.49
    ethyl propionate 787.21
    nitromethane 1652.5
    1,2-diethoxyethane 1484.57
    benzonitrile 850.51
    trioctyl phosphate 270.14
    1-bromopropane 1288.49
    gamma-valerolactone 2302.86
    n-decanol 574.99
    triethyl phosphate 271.95
    4-methyl-2-pentanol 1372.64
    propionitrile 1939.5
    vinylene carbonate 850.68
    1,1,2-trichlorotrifluoroethane 1209.31
    DMS 614.92
    cumene 361.18
    2-octanol 697.11
    2-hexanone 968.4
    octyl acetate 519.93
    limonene 449.21
    1,2-dimethoxyethane 2585.18
    ethyl orthosilicate 294.47
    tributyl phosphate 305.29
    diacetone alcohol 1576.19
    N,N-dimethylaniline 625.1
    acrylonitrile 1621.35
    aniline 1165.98
    1,3-propanediol 2324.65
    bromobenzene 819.37
    dibromomethane 1510.84
    1,1,2,2-tetrachloroethane 1646.17
    2-methyl-cyclohexyl acetate 524.84
    tetrabutyl urea 331.17
    diisobutyl methanol 610.45
    2-phenylethanol 1117.01
    styrene 497.39
    dioctyl adipate 398.19
    dimethyl sulfate 539.08
    ethyl butyrate 754.71
    methyl lactate 700.17
    butyl lactate 540.6
    diethyl carbonate 441.77
    propanediol butyl ether 1211.77
    triethyl orthoformate 512.88
    p-tert-butyltoluene 372.36
    methyl 4-tert-butylbenzoate 661.76
    morpholine 3880.61
    tert-butylamine 2965.4
    n-dodecanol 416.16
    dimethoxymethane 1976.39
    ethylene carbonate 842.17
    cyrene 549.73
    2-ethoxyethyl acetate 977.1
    2-ethylhexyl acetate 789.14
    1,2,4-trichlorobenzene 681.01
    4-methylpyridine 1573.01
    dibutyl ether 863.25
    2,6-dimethyl-4-heptanol 610.45
    DEF 1187.7
    dimethyl isosorbide 1173.99
    tetrachloroethylene 1103.24
    eugenol 665.41
    triacetin 645.22
    span 80 795.75
    1,4-butanediol 861.51
    1,1-dichloroethane 2046.67
    2-methyl-1-pentanol 1250.18
    methyl formate 923.45
    2-methyl-1-butanol 1940.49
    n-decane 158.99
    butyronitrile 2163.89
    3,7-dimethyl-1-octanol 904.0
    1-chlorooctane 505.42
    1-chlorotetradecane 196.34
    n-nonane 157.47
    undecane 114.78
    tert-butylcyclohexane 213.04
    cyclooctane 118.89
    cyclopentanol 1581.84
    tetrahydropyran 2910.89
    tert-amyl methyl ether 1482.89
    2,5,8-trioxanonane 1330.86
    1-hexene 893.27
    2-isopropoxyethanol 1420.37
    2,2,2-trifluoroethanol 495.21
    methyl butyrate 894.13

    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

Botanical

Name CAS Botanical Proportion
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.05%