3-Methylcyclopentanol, mixed isomers

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  • Identifiers

    CAS number
    18729-48-1

    Molecular formula
    C6H12O

    SMILES
    CC1CCC(C1)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 54.59%
    Mint 54.53%
    Solvent 52.87%
    Fermented 51.45%
    Ethereal 45.71%
    Musty 41.8%
    Camphoreous 39.02%
    Alcoholic 38.33%
    Cooling 32.08%
    Herbal 31.44%

     

    Flavor
    Minty 42.95%
    Camphor 33.14%
    Sweet 30.68%
    Medicinal 30.31%
    Herbal 23.73%
    Phenol 22.39%
    Caramel 22.32%
    Mentholic 21.85%
    Warm 21.68%
    Camphoraceous 21.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.36 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    157°C

    Flash point

    • 50.65 ˚C est.

  • Synonyms

    • 3-Methylcyclopentanol
    • EINECS 242-540-1
    • RefChem:504202
    • 242-540-1
    • 18729-48-1
    • 3-methylcyclopentan-1-ol
    • Cyclopentanol, 3-methyl-
    • MFCD00001368
    • 3-methyl-cyclopentanol
    • 3-Methyl-1-cyclopentanol
    • 3-methylcyclopentyl alcohol
    • SCHEMBL181737
    • SCHEMBL766964
    • SCHEMBL2292339
    • SCHEMBL5827395
    • SCHEMBL8492199
    • SCHEMBL8492202
    • DTXSID70864853
    • GEO-01804
    • AKOS005255219
    • AS-86069
    • DA-08875
    • SY147742
    • CS-0107204
    • NS00125934
    • D76706
    • EN300-128231
    • Z1233224917
    • 18729-48-1

  • Applications

    3-Methylcyclopentanol, mixed isomers (CAS 18729-48-1) is primarily used as an industrial intermediate and as a specialty solvent and fragrance-related ingredient. In fragrance and cosmetics, it is used as an aroma chemical and as a precursor for fragrance components; in coatings and inks, it serves as a co-solvent or reactive diluent to adjust formulation properties; in general industrial manufacturing, it is used as a synthetic intermediate for the preparation of other cyclic alcohols and fine chemicals; for household cleaning formulations, it can act as a solvent and carrier for fragrances or actives. Its applications are typically as a raw material or intermediate, and use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1517.81
    methanol 1612.6
    isopropanol 1058.38
    water 21.18
    ethyl acetate 461.41
    n-propanol 961.12
    acetone 572.41
    n-butanol 906.62
    acetonitrile 441.69
    DMF 269.71
    toluene 64.61
    isobutanol 610.48
    1,4-dioxane 760.85
    methyl acetate 346.62
    THF 1127.75
    2-butanone 373.7
    n-pentanol 478.49
    sec-butanol 638.13
    n-hexane 79.56
    ethylene glycol 348.03
    NMP 302.25
    cyclohexane 71.98
    DMSO 416.11
    n-butyl acetate 537.42
    n-octanol 289.36
    chloroform 695.97
    n-propyl acetate 262.42
    acetic acid 1326.84
    dichloromethane 381.25
    cyclohexanone 433.34
    propylene glycol 466.78
    isopropyl acetate 309.48
    DMAc 198.03
    2-ethoxyethanol 552.68
    isopentanol 659.63
    n-heptane 100.48
    ethyl formate 286.79
    1,2-dichloroethane 207.93
    n-hexanol 869.08
    2-methoxyethanol 985.06
    isobutyl acetate 193.44
    tetrachloromethane 167.91
    n-pentyl acetate 239.75
    transcutol 1629.53
    n-heptanol 343.48
    ethylbenzene 36.75
    MIBK 263.55
    2-propoxyethanol 984.08
    tert-butanol 953.39
    MTBE 501.33
    2-butoxyethanol 542.12
    propionic acid 709.13
    o-xylene 55.33
    formic acid 539.99
    diethyl ether 442.75
    m-xylene 70.71
    p-xylene 56.73
    chlorobenzene 126.61
    dimethyl carbonate 81.75
    n-octane 30.47
    formamide 406.52
    cyclopentanone 505.99
    2-pentanone 376.83
    anisole 126.39
    cyclopentyl methyl ether 416.04
    gamma-butyrolactone 593.14
    1-methoxy-2-propanol 705.08
    pyridine 297.22
    3-pentanone 197.81
    furfural 415.2
    n-dodecane 23.51
    diethylene glycol 718.61
    diisopropyl ether 177.92
    tert-amyl alcohol 559.28
    acetylacetone 315.12
    n-hexadecane 24.54
    acetophenone 109.53
    methyl propionate 240.39
    isopentyl acetate 431.94
    trichloroethylene 428.61
    n-nonanol 249.19
    cyclohexanol 432.79
    benzyl alcohol 145.86
    2-ethylhexanol 425.05
    isooctanol 264.3
    dipropyl ether 397.83
    1,2-dichlorobenzene 115.78
    ethyl lactate 133.05
    propylene carbonate 346.72
    n-methylformamide 360.56
    2-pentanol 530.36
    n-pentane 83.41
    1-propoxy-2-propanol 754.68
    1-methoxy-2-propyl acetate 380.31
    2-(2-methoxypropoxy) propanol 325.92
    mesitylene 53.83
    ε-caprolactone 422.68
    p-cymene 66.56
    epichlorohydrin 504.43
    1,1,1-trichloroethane 299.67
    2-aminoethanol 708.67
    morpholine-4-carbaldehyde 420.79
    sulfolane 433.02
    2,2,4-trimethylpentane 47.07
    2-methyltetrahydrofuran 707.31
    n-hexyl acetate 325.6
    isooctane 56.01
    2-(2-butoxyethoxy)ethanol 554.01
    sec-butyl acetate 181.18
    tert-butyl acetate 329.69
    decalin 32.01
    glycerin 597.02
    diglyme 737.96
    acrylic acid 502.25
    isopropyl myristate 122.54
    n-butyric acid 1038.22
    acetyl acetate 253.4
    di(2-ethylhexyl) phthalate 111.2
    ethyl propionate 176.41
    nitromethane 771.75
    1,2-diethoxyethane 462.97
    benzonitrile 178.1
    trioctyl phosphate 94.96
    1-bromopropane 183.7
    gamma-valerolactone 626.1
    n-decanol 183.69
    triethyl phosphate 91.83
    4-methyl-2-pentanol 333.03
    propionitrile 368.13
    vinylene carbonate 272.97
    1,1,2-trichlorotrifluoroethane 450.94
    DMS 139.93
    cumene 40.3
    2-octanol 206.52
    2-hexanone 272.41
    octyl acetate 159.9
    limonene 121.44
    1,2-dimethoxyethane 498.92
    ethyl orthosilicate 106.72
    tributyl phosphate 110.36
    diacetone alcohol 373.62
    N,N-dimethylaniline 78.99
    acrylonitrile 314.07
    aniline 188.1
    1,3-propanediol 876.58
    bromobenzene 100.8
    dibromomethane 272.69
    1,1,2,2-tetrachloroethane 370.18
    2-methyl-cyclohexyl acetate 193.37
    tetrabutyl urea 117.57
    diisobutyl methanol 215.66
    2-phenylethanol 244.3
    styrene 44.25
    dioctyl adipate 145.13
    dimethyl sulfate 92.26
    ethyl butyrate 293.43
    methyl lactate 179.81
    butyl lactate 217.09
    diethyl carbonate 150.25
    propanediol butyl ether 439.43
    triethyl orthoformate 214.71
    p-tert-butyltoluene 67.77
    methyl 4-tert-butylbenzoate 161.15
    morpholine 841.65
    tert-butylamine 635.79
    n-dodecanol 136.0
    dimethoxymethane 280.21
    ethylene carbonate 256.42
    cyrene 178.54
    2-ethoxyethyl acetate 264.88
    2-ethylhexyl acetate 295.06
    1,2,4-trichlorobenzene 137.93
    4-methylpyridine 222.82
    dibutyl ether 263.21
    2,6-dimethyl-4-heptanol 215.66
    DEF 267.7
    dimethyl isosorbide 370.98
    tetrachloroethylene 296.22
    eugenol 190.17
    triacetin 225.27
    span 80 366.66
    1,4-butanediol 313.63
    1,1-dichloroethane 302.59
    2-methyl-1-pentanol 361.98
    methyl formate 217.15
    2-methyl-1-butanol 527.23
    n-decane 41.26
    butyronitrile 446.13
    3,7-dimethyl-1-octanol 283.23
    1-chlorooctane 122.45
    1-chlorotetradecane 45.57
    n-nonane 40.4
    undecane 30.11
    tert-butylcyclohexane 41.8
    cyclooctane 27.92
    cyclopentanol 538.67
    tetrahydropyran 676.26
    tert-amyl methyl ether 285.02
    2,5,8-trioxanonane 485.56
    1-hexene 178.78
    2-isopropoxyethanol 384.03
    2,2,2-trifluoroethanol 360.97
    methyl butyrate 228.54

    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