1-Cyclopentyl-2-propen-1-ol

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  • Identifiers

    CAS number
    87453-54-1

    Molecular formula
    C8H14O

    SMILES
    C=CC(C1CCCC1)O

    Safety labels

  • Odor profile

    Fragrance
    Green 75.56%
    Fruity 74.97%
    Herbal 44.46%
    Metallic 39.07%
    Tropical 35.54%
    Fresh 35.39%
    Earthy 35.0%
    Sweet 32.39%
    Floral 32.35%
    Mushroom 30.78%

     

    Flavor
    Green 34.74%
    Spicy 29.76%
    Herbal 27.3%
    Sweet 25.47%
    Bitter 25.44%
    Oily 24.39%
    Mint 24.07%
    Fruity 23.71%
    Spice 22.81%
    Minty 22.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.33 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    184°C

    Flash point

    • 66.23 ˚C est.

  • Synonyms

    • 1-Cyclopentyl-2-propen-1-ol
    • 87453-54-1
    • RefChem:1055327
    • 1-cyclopentylprop-2-en-1-ol
    • Cyclopentanemethanol, a-ethenyl-
    • SCHEMBL1464686
    • SCHEMBL1962728
    • SCHEMBL8901156
    • 1-Cyclopentyl-prop-2-en-1-ol
    • DTXSID601007570
    • MFCD00061051
    • AKOS006273552
    • SY503874
    • CS-0267153
    • EN300-393405
    • F52271
    • 87453-54-1

  • Applications

    1-Cyclopentyl-2-propen-1-ol (CAS 87453-54-1) is a secondary allylic alcohol that serves mainly as a synthetic building block in organic chemistry. In fragrance and flavor chemistry, it is used as a fragrance intermediate or precursor to cyclopentyl-containing aroma compounds. In cosmetics and personal care, it may function as a fragrance component or odor-active intermediate in formulations. In pharmaceutical development, it provides a versatile scaffold for the synthesis of cyclopentyl-containing drug-like molecules. In polymer and materials science, the allylic alcohol functionality enables functionalization and incorporation of the cyclopentyl moiety into specialty polymers or resin systems. In industrial manufacturing, it may be used as an intermediate for other specialty chemicals, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1437.01
    methanol 1492.98
    isopropanol 1375.35
    water 1.11
    ethyl acetate 736.49
    n-propanol 1155.16
    acetone 1135.13
    n-butanol 1131.99
    acetonitrile 828.26
    DMF 716.89
    toluene 260.48
    isobutanol 988.82
    1,4-dioxane 1320.86
    methyl acetate 689.43
    THF 2325.36
    2-butanone 879.73
    n-pentanol 698.02
    sec-butanol 968.82
    n-hexane 270.0
    ethylene glycol 152.55
    NMP 655.72
    cyclohexane 225.05
    DMSO 983.99
    n-butyl acetate 1006.11
    n-octanol 415.36
    chloroform 1586.9
    n-propyl acetate 628.25
    acetic acid 649.46
    dichloromethane 1215.82
    cyclohexanone 1025.3
    propylene glycol 290.29
    isopropyl acetate 543.03
    DMAc 403.38
    2-ethoxyethanol 660.8
    isopentanol 1002.42
    n-heptane 186.68
    ethyl formate 501.83
    1,2-dichloroethane 714.2
    n-hexanol 1070.54
    2-methoxyethanol 936.61
    isobutyl acetate 478.82
    tetrachloromethane 330.7
    n-pentyl acetate 449.67
    transcutol 1749.56
    n-heptanol 446.14
    ethylbenzene 164.76
    MIBK 595.43
    2-propoxyethanol 1088.87
    tert-butanol 1419.96
    MTBE 1140.24
    2-butoxyethanol 614.98
    propionic acid 698.93
    o-xylene 173.83
    formic acid 150.96
    diethyl ether 1066.89
    m-xylene 224.33
    p-xylene 220.68
    chlorobenzene 442.16
    dimethyl carbonate 153.39
    n-octane 74.3
    formamide 177.47
    cyclopentanone 1229.2
    2-pentanone 819.78
    anisole 343.29
    cyclopentyl methyl ether 925.31
    gamma-butyrolactone 1258.71
    1-methoxy-2-propanol 838.63
    pyridine 714.82
    3-pentanone 450.78
    furfural 758.28
    n-dodecane 53.54
    diethylene glycol 562.39
    diisopropyl ether 407.78
    tert-amyl alcohol 900.08
    acetylacetone 588.43
    n-hexadecane 58.87
    acetophenone 284.66
    methyl propionate 466.62
    isopentyl acetate 839.87
    trichloroethylene 1167.73
    n-nonanol 347.83
    cyclohexanol 699.94
    benzyl alcohol 276.17
    2-ethylhexanol 591.35
    isooctanol 399.62
    dipropyl ether 802.29
    1,2-dichlorobenzene 360.71
    ethyl lactate 227.14
    propylene carbonate 737.15
    n-methylformamide 487.63
    2-pentanol 836.54
    n-pentane 246.25
    1-propoxy-2-propanol 920.41
    1-methoxy-2-propyl acetate 577.89
    2-(2-methoxypropoxy) propanol 384.49
    mesitylene 175.12
    ε-caprolactone 816.13
    p-cymene 162.09
    epichlorohydrin 1228.71
    1,1,1-trichloroethane 845.16
    2-aminoethanol 393.33
    morpholine-4-carbaldehyde 654.28
    sulfolane 1178.52
    2,2,4-trimethylpentane 108.65
    2-methyltetrahydrofuran 1591.23
    n-hexyl acetate 568.81
    isooctane 138.22
    2-(2-butoxyethoxy)ethanol 624.86
    sec-butyl acetate 417.82
    tert-butyl acetate 647.59
    decalin 104.4
    glycerin 305.46
    diglyme 976.94
    acrylic acid 443.53
    isopropyl myristate 236.47
    n-butyric acid 1042.72
    acetyl acetate 335.86
    di(2-ethylhexyl) phthalate 173.73
    ethyl propionate 407.02
    nitromethane 798.66
    1,2-diethoxyethane 745.12
    benzonitrile 422.3
    trioctyl phosphate 163.87
    1-bromopropane 770.71
    gamma-valerolactone 1098.11
    n-decanol 256.29
    triethyl phosphate 172.26
    4-methyl-2-pentanol 536.01
    propionitrile 842.72
    vinylene carbonate 534.66
    1,1,2-trichlorotrifluoroethane 580.38
    DMS 269.09
    cumene 143.11
    2-octanol 311.24
    2-hexanone 678.77
    octyl acetate 273.35
    limonene 265.7
    1,2-dimethoxyethane 1078.63
    ethyl orthosilicate 188.71
    tributyl phosphate 190.18
    diacetone alcohol 564.38
    N,N-dimethylaniline 210.73
    acrylonitrile 754.96
    aniline 360.15
    1,3-propanediol 600.53
    bromobenzene 454.11
    dibromomethane 962.97
    1,1,2,2-tetrachloroethane 924.19
    2-methyl-cyclohexyl acetate 371.85
    tetrabutyl urea 215.73
    diisobutyl methanol 354.66
    2-phenylethanol 376.99
    styrene 207.53
    dioctyl adipate 246.6
    dimethyl sulfate 216.03
    ethyl butyrate 585.15
    methyl lactate 238.1
    butyl lactate 315.01
    diethyl carbonate 303.67
    propanediol butyl ether 502.59
    triethyl orthoformate 355.92
    p-tert-butyltoluene 162.64
    methyl 4-tert-butylbenzoate 316.71
    morpholine 1301.49
    tert-butylamine 1082.46
    n-dodecanol 193.1
    dimethoxymethane 617.89
    ethylene carbonate 512.17
    cyrene 293.71
    2-ethoxyethyl acetate 443.92
    2-ethylhexyl acetate 590.38
    1,2,4-trichlorobenzene 392.7
    4-methylpyridine 643.79
    dibutyl ether 537.95
    2,6-dimethyl-4-heptanol 354.66
    DEF 529.53
    dimethyl isosorbide 577.25
    tetrachloroethylene 655.49
    eugenol 299.56
    triacetin 350.01
    span 80 389.09
    1,4-butanediol 259.62
    1,1-dichloroethane 1067.97
    2-methyl-1-pentanol 602.7
    methyl formate 354.92
    2-methyl-1-butanol 827.41
    n-decane 93.35
    butyronitrile 1054.81
    3,7-dimethyl-1-octanol 427.83
    1-chlorooctane 284.96
    1-chlorotetradecane 109.94
    n-nonane 101.22
    undecane 67.25
    tert-butylcyclohexane 129.11
    cyclooctane 90.21
    cyclopentanol 882.71
    tetrahydropyran 1479.39
    tert-amyl methyl ether 581.37
    2,5,8-trioxanonane 561.82
    1-hexene 668.87
    2-isopropoxyethanol 546.69
    2,2,2-trifluoroethanol 182.45
    methyl butyrate 587.45

    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