3-Methylcyclopentanone

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  • Identifiers

    CAS number
    1757-42-2

    Molecular formula
    C6H10O

    SMILES
    CC1CCC(=O)C1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Mint 77.31%
    Ketonic 56.47%
    Camphoreous 55.95%
    Solvent 51.39%
    Herbal 49.49%
    Cooling 45.07%
    Sweet 44.42%
    Ethereal 44.31%
    Fresh 42.83%
    Musty 42.65%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    150°C

    Flash point est.
    34.73 ˚C

  • Synonyms

    • 3-METHYLCYCLOPENTANONE
    • 1757-42-2
    • Cyclopentanone, 3-methyl-
    • DL-3-Methylcyclopentanone
    • 3-methylcyclopentan-1-one
    • 3-Methyl-1-cyclopentanone
    • 3-Methylcyclopentanone, (+/-)-
    • MFCD00001416
    • (+/-)-3-methylcyclopentanone
    • UNII-N603804P52
    • EINECS 217-148-9
    • NSC 25212
    • NSC-25212
    • 1-methyl-3-cyclopentanone
    • N603804P52
    • 3-METHYLCYCLOPENTANONE (2,2,5,5-D4)
    • Cyclopentanone, 3-methyl-, (R)-
    • (+/-)-3-Methylcyclopentanone; 1-Methyl-3-cyclopentanone; 3-Methyl-1-cyclopentanone; 3-Methylcyclopentanone; NSC 25212
    • 3Methylcyclopentanone
    • 3Methyl1cyclopentanone
    • 3-methyl cyclopentanone
    • Cyclopentanone, 3methyl
    • 3-methyl-cyclopentan-1-one
    • 3-Methylcyclopentanone, 99%
    • Cyclopentanone, 3-methyl-(8CI)
    • CHEBI:195512
    • DTXSID201023930
    • NSC25212
    • GEO-01805
    • AKOS005255221
    • FM05641
    • Cyclopentanone, 3-methyl-(8CI)(9CI)
    • SY003033
    • CS-0015918
    • NS00045596
    • EN300-51490
    • F10505
    • Q27284587
    • 217-148-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 645.68
    methanol 762.42
    isopropanol 537.58
    water 30.04
    ethyl acetate 339.04
    n-propanol 434.48
    acetone 547.92
    n-butanol 382.37
    acetonitrile 462.88
    DMF 444.84
    toluene 89.79
    isobutanol 336.73
    1,4-dioxane 625.26
    methyl acetate 351.43
    THF 669.0
    2-butanone 374.03
    n-pentanol 257.57
    sec-butanol 411.32
    n-hexane 56.16
    ethylene glycol 270.15
    NMP 476.36
    cyclohexane 61.07
    DMSO 398.66
    n-butyl acetate 285.03
    n-octanol 275.05
    chloroform 1546.91
    n-propyl acetate 204.28
    acetic acid 1391.13
    dichloromethane 788.67
    cyclohexanone 436.59
    propylene glycol 412.99
    isopropyl acetate 223.57
    DMAc 355.16
    2-ethoxyethanol 336.92
    isopentanol 327.29
    n-heptane 44.93
    ethyl formate 210.67
    1,2-dichloroethane 334.79
    n-hexanol 407.95
    2-methoxyethanol 569.24
    isobutyl acetate 161.77
    tetrachloromethane 189.75
    n-pentyl acetate 199.1
    transcutol 1663.27
    n-heptanol 226.62
    ethylbenzene 82.02
    MIBK 193.28
    2-propoxyethanol 531.75
    tert-butanol 602.07
    MTBE 301.62
    2-butoxyethanol 364.01
    propionic acid 619.96
    o-xylene 85.76
    formic acid 470.42
    diethyl ether 257.18
    m-xylene 89.36
    p-xylene 131.05
    chlorobenzene 236.44
    dimethyl carbonate 121.73
    n-octane 21.25
    formamide 395.96
    cyclopentanone 543.66
    2-pentanone 265.13
    anisole 222.44
    cyclopentyl methyl ether 276.43
    gamma-butyrolactone 621.61
    1-methoxy-2-propanol 485.55
    pyridine 402.12
    3-pentanone 195.51
    furfural 572.62
    n-dodecane 22.11
    diethylene glycol 468.85
    diisopropyl ether 107.62
    tert-amyl alcohol 438.06
    acetylacetone 323.57
    n-hexadecane 23.17
    acetophenone 210.19
    methyl propionate 243.81
    isopentyl acetate 275.82
    trichloroethylene 848.44
    n-nonanol 225.67
    cyclohexanol 323.65
    benzyl alcohol 202.7
    2-ethylhexanol 218.72
    isooctanol 184.48
    dipropyl ether 179.1
    1,2-dichlorobenzene 238.84
    ethyl lactate 150.4
    propylene carbonate 391.89
    n-methylformamide 327.36
    2-pentanol 290.69
    n-pentane 43.11
    1-propoxy-2-propanol 428.28
    1-methoxy-2-propyl acetate 292.11
    2-(2-methoxypropoxy) propanol 386.49
    mesitylene 67.78
    ε-caprolactone 422.81
    p-cymene 80.03
    epichlorohydrin 535.07
    1,1,1-trichloroethane 503.67
    2-aminoethanol 445.74
    morpholine-4-carbaldehyde 527.05
    sulfolane 606.68
    2,2,4-trimethylpentane 36.03
    2-methyltetrahydrofuran 489.1
    n-hexyl acetate 384.79
    isooctane 30.24
    2-(2-butoxyethoxy)ethanol 553.38
    sec-butyl acetate 156.91
    tert-butyl acetate 254.41
    decalin 39.32
    glycerin 523.7
    diglyme 733.15
    acrylic acid 609.79
    isopropyl myristate 140.72
    n-butyric acid 633.05
    acetyl acetate 267.07
    di(2-ethylhexyl) phthalate 145.05
    ethyl propionate 180.63
    nitromethane 964.63
    1,2-diethoxyethane 341.41
    benzonitrile 281.34
    trioctyl phosphate 107.93
    1-bromopropane 215.67
    gamma-valerolactone 634.0
    n-decanol 165.15
    triethyl phosphate 94.57
    4-methyl-2-pentanol 196.63
    propionitrile 302.5
    vinylene carbonate 360.29
    1,1,2-trichlorotrifluoroethane 611.02
    DMS 244.43
    cumene 81.5
    2-octanol 163.96
    2-hexanone 227.34
    octyl acetate 186.85
    limonene 117.95
    1,2-dimethoxyethane 417.23
    ethyl orthosilicate 94.62
    tributyl phosphate 129.66
    diacetone alcohol 356.76
    N,N-dimethylaniline 146.95
    acrylonitrile 366.69
    aniline 217.24
    1,3-propanediol 470.05
    bromobenzene 214.38
    dibromomethane 508.21
    1,1,2,2-tetrachloroethane 718.13
    2-methyl-cyclohexyl acetate 189.96
    tetrabutyl urea 145.31
    diisobutyl methanol 129.0
    2-phenylethanol 246.55
    styrene 102.53
    dioctyl adipate 190.78
    dimethyl sulfate 174.17
    ethyl butyrate 186.75
    methyl lactate 216.15
    butyl lactate 217.21
    diethyl carbonate 135.46
    propanediol butyl ether 474.44
    triethyl orthoformate 142.95
    p-tert-butyltoluene 77.25
    methyl 4-tert-butylbenzoate 247.45
    morpholine 611.64
    tert-butylamine 361.15
    n-dodecanol 121.46
    dimethoxymethane 245.78
    ethylene carbonate 282.67
    cyrene 239.86
    2-ethoxyethyl acetate 260.93
    2-ethylhexyl acetate 189.77
    1,2,4-trichlorobenzene 305.9
    4-methylpyridine 313.52
    dibutyl ether 211.61
    2,6-dimethyl-4-heptanol 129.0
    DEF 256.13
    dimethyl isosorbide 411.58
    tetrachloroethylene 489.24
    eugenol 278.74
    triacetin 357.5
    span 80 398.73
    1,4-butanediol 207.08
    1,1-dichloroethane 531.11
    2-methyl-1-pentanol 235.69
    methyl formate 245.28
    2-methyl-1-butanol 308.9
    n-decane 34.56
    butyronitrile 285.0
    3,7-dimethyl-1-octanol 261.37
    1-chlorooctane 129.0
    1-chlorotetradecane 52.04
    n-nonane 33.22
    undecane 27.27
    tert-butylcyclohexane 44.91
    cyclooctane 21.68
    cyclopentanol 384.56
    tetrahydropyran 461.88
    tert-amyl methyl ether 209.23
    2,5,8-trioxanonane 515.14
    1-hexene 160.6
    2-isopropoxyethanol 260.0
    2,2,2-trifluoroethanol 444.97
    methyl butyrate 221.04

    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
Nepeta caesarea (Turkey) Nepeta caesarea Boiss, fam. Lamiaceae (Labiatae) 0.02%
Mentha longifolia (Israel) 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.5%
Nepeta argolica (Greece) 2 Nepeta argolica Bory et Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.1%