Cyclopentanone

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  • Identifiers

    CAS number
    120-92-3

    Molecular formula
    C5H8O

    SMILES
    C1CCC(=O)C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1238.0

  • Odor profile

    Mint 72.3%
    Ketonic 65.18%
    Solvent 51.8%
    Nutty 48.46%
    Camphoreous 48.24%
    Musty 46.31%
    Caramellic 45.07%
    Woody 44.93%
    Sweet 43.16%
    Burnt 36.22%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.9 (neutral)

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -60.3 °F (NTP, 1992)
    • -51.3 °C
    • -58 °C
    • -51 °C

    Boiling point

    • 267.17 °F at 760 mmHg (NTP, 1992)
    • 130.6 °C AT 760 MM HG
    • 130.00 to 131.00 °C. @ 760.00 mm Hg
    • 131 °C

    Flash point est.
    30.16 ˚C

    Flash point expt.

    • 86 °F (NTP, 1992)
    • 87 °F (CLOSED CUP)
    • 26 °C

    Solubility expt.

    • Sol in alcohol, acetone, ether
    • Estimated water solubility of 9175 mg/l
    • Solubility in water: poor
    • water; miscible in ether
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • CYCLOPENTANONE
    • 120-92-3
    • Adipic ketone
    • Ketocyclopentane
    • Ketopentamethylene
    • Dumasin
    • Adipinketon
    • cyclopentan-1-one
    • oxocyclopentane
    • Adipin keton
    • NSC 4122
    • HSDB 2822
    • EINECS 204-435-9
    • UNII-220W81TN3S
    • DTXSID3029154
    • CHEBI:16486
    • AI3-16609
    • 220W81TN3S
    • NSC-4122
    • CHEMBL18620
    • DTXCID209154
    • FEMA NO. 3910
    • EC 204-435-9
    • MFCD00001409
    • cyclopentanon
    • CAS-120-92-3
    • CYCLOPENTANONE (2,2,5,5-D4)
    • UN2245
    • cyclopentaneon
    • Dumasine
    • cyclo-pentanone
    • 2-cyclopentanone
    • Cyclopentanone [UN2245] [Flammable liquid]
    • WLN: L5VTJ
    • CYCLOPENTANONE [MI]
    • CYCLOPENTANONE [FHFI]
    • CYCLOPENTANONE [HSDB]
    • Cyclopentanone, >=99%, FG
    • FEMA 3910
    • NSC4122
    • Cyclopentanone, analytical standard
    • STR00465
    • Tox21_200244
    • Tox21_303562
    • BDBM50028830
    • STL185563
    • AKOS000118935
    • FC07742
    • UN 2245
    • NCGC00248575-01
    • NCGC00257495-01
    • NCGC00257798-01
    • BP-12623
    • Cyclopentanone, ReagentPlus(R), >=99%
    • 3-Acetyl-6-methyl-Pyran-2,4(3H)-dione
    • Cyclopentanone, ReagentPlus(R), >=99.0%
    • DB-061830
    • NS00004610
    • EN300-19196
    • C00557
    • Cyclopentanone [UN2245] [Flammable liquid]
    • A804615
    • Q416065
    • InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H
    • F0001-0334
    • 204-435-9

  • Applications

    Cyclopentanone (CAS 120-92-3) is a saturated cyclic ketone with a mild earthy odor, widely employed as a selective solvent in organic synthesis, an intermediate for pharmaceuticals (notably in the semisynthesis of steroids and certain antibiotics), a raw material for floral-fruity fragrances, a precursor in manufacturing pyrethroid pesticides, a diluent in printing inks and eyeglass cleaners, as well as a contributor to epoxy resin production, plasticizers, rubber stabilizers, and other specialty solvents required for moisture-sensitive reactions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 897.5
    methanol 1421.42
    isopropanol 637.84
    water 38.19
    ethyl acetate 309.62
    n-propanol 568.45
    acetone 607.24
    n-butanol 504.19
    acetonitrile 585.72
    DMF 716.66
    toluene 126.79
    isobutanol 437.49
    1,4-dioxane 460.36
    methyl acetate 359.79
    THF 581.34
    2-butanone 444.67
    n-pentanol 343.83
    sec-butanol 482.56
    n-hexane 87.66
    ethylene glycol 380.57
    NMP 606.24
    cyclohexane 61.03
    DMSO 535.71
    n-butyl acetate 313.45
    n-octanol 321.74
    chloroform 1525.01
    n-propyl acetate 253.26
    acetic acid 1429.18
    dichloromethane 931.49
    cyclohexanone 482.8
    propylene glycol 438.53
    isopropyl acetate 215.77
    DMAc 513.79
    2-ethoxyethanol 441.23
    isopentanol 442.04
    n-heptane 61.58
    ethyl formate 295.18
    1,2-dichloroethane 377.41
    n-hexanol 380.79
    2-methoxyethanol 719.59
    isobutyl acetate 177.3
    tetrachloromethane 229.22
    n-pentyl acetate 270.3
    transcutol 1536.96
    n-heptanol 260.53
    ethylbenzene 112.03
    MIBK 217.14
    2-propoxyethanol 510.07
    tert-butanol 590.3
    MTBE 298.75
    2-butoxyethanol 435.4
    propionic acid 656.73
    o-xylene 108.43
    formic acid 604.79
    diethyl ether 270.17
    m-xylene 100.21
    p-xylene 167.06
    chlorobenzene 276.34
    dimethyl carbonate 135.86
    n-octane 33.08
    formamide 553.29
    cyclopentanone 620.88
    2-pentanone 319.83
    anisole 242.81
    cyclopentyl methyl ether 266.91
    gamma-butyrolactone 721.75
    1-methoxy-2-propanol 534.56
    pyridine 468.67
    3-pentanone 226.47
    furfural 735.94
    n-dodecane 30.52
    diethylene glycol 463.65
    diisopropyl ether 98.88
    tert-amyl alcohol 448.67
    acetylacetone 328.97
    n-hexadecane 31.92
    acetophenone 273.61
    methyl propionate 254.52
    isopentyl acetate 287.44
    trichloroethylene 918.31
    n-nonanol 262.24
    cyclohexanol 345.3
    benzyl alcohol 258.23
    2-ethylhexanol 235.56
    isooctanol 211.05
    dipropyl ether 197.04
    1,2-dichlorobenzene 264.99
    ethyl lactate 174.58
    propylene carbonate 460.42
    n-methylformamide 524.55
    2-pentanol 357.2
    n-pentane 69.59
    1-propoxy-2-propanol 407.07
    1-methoxy-2-propyl acetate 258.02
    2-(2-methoxypropoxy) propanol 370.33
    mesitylene 69.81
    ε-caprolactone 452.7
    p-cymene 102.22
    epichlorohydrin 533.6
    1,1,1-trichloroethane 488.84
    2-aminoethanol 600.59
    morpholine-4-carbaldehyde 598.74
    sulfolane 690.27
    2,2,4-trimethylpentane 44.22
    2-methyltetrahydrofuran 455.53
    n-hexyl acetate 434.21
    isooctane 32.57
    2-(2-butoxyethoxy)ethanol 521.9
    sec-butyl acetate 171.81
    tert-butyl acetate 230.1
    decalin 47.38
    glycerin 566.78
    diglyme 777.25
    acrylic acid 709.74
    isopropyl myristate 154.29
    n-butyric acid 707.08
    acetyl acetate 234.13
    di(2-ethylhexyl) phthalate 165.82
    ethyl propionate 203.97
    nitromethane 1008.04
    1,2-diethoxyethane 357.2
    benzonitrile 368.4
    trioctyl phosphate 121.28
    1-bromopropane 292.43
    gamma-valerolactone 664.43
    n-decanol 186.18
    triethyl phosphate 108.57
    4-methyl-2-pentanol 223.11
    propionitrile 391.53
    vinylene carbonate 442.47
    1,1,2-trichlorotrifluoroethane 691.34
    DMS 270.62
    cumene 103.24
    2-octanol 195.63
    2-hexanone 288.27
    octyl acetate 205.47
    limonene 138.9
    1,2-dimethoxyethane 485.74
    ethyl orthosilicate 108.5
    tributyl phosphate 154.29
    diacetone alcohol 323.47
    N,N-dimethylaniline 186.49
    acrylonitrile 522.0
    aniline 253.44
    1,3-propanediol 567.86
    bromobenzene 254.49
    dibromomethane 629.45
    1,1,2,2-tetrachloroethane 768.18
    2-methyl-cyclohexyl acetate 198.26
    tetrabutyl urea 174.4
    diisobutyl methanol 143.63
    2-phenylethanol 249.06
    styrene 152.15
    dioctyl adipate 221.43
    dimethyl sulfate 204.3
    ethyl butyrate 218.91
    methyl lactate 230.53
    butyl lactate 266.16
    diethyl carbonate 158.8
    propanediol butyl ether 534.84
    triethyl orthoformate 155.52
    p-tert-butyltoluene 93.65
    methyl 4-tert-butylbenzoate 291.76
    morpholine 525.52
    tert-butylamine 413.51
    n-dodecanol 135.52
    dimethoxymethane 291.84
    ethylene carbonate 329.0
    cyrene 251.6
    2-ethoxyethyl acetate 314.13
    2-ethylhexyl acetate 211.84
    1,2,4-trichlorobenzene 321.93
    4-methylpyridine 424.98
    dibutyl ether 263.48
    2,6-dimethyl-4-heptanol 143.63
    DEF 346.08
    dimethyl isosorbide 393.7
    tetrachloroethylene 557.92
    eugenol 321.62
    triacetin 406.88
    span 80 383.64
    1,4-butanediol 291.52
    1,1-dichloroethane 542.12
    2-methyl-1-pentanol 306.49
    methyl formate 361.44
    2-methyl-1-butanol 408.73
    n-decane 51.43
    butyronitrile 393.85
    3,7-dimethyl-1-octanol 279.42
    1-chlorooctane 163.48
    1-chlorotetradecane 66.86
    n-nonane 51.54
    undecane 38.11
    tert-butylcyclohexane 55.0
    cyclooctane 24.25
    cyclopentanol 449.88
    tetrahydropyran 383.69
    tert-amyl methyl ether 221.81
    2,5,8-trioxanonane 511.64
    1-hexene 234.59
    2-isopropoxyethanol 314.48
    2,2,2-trifluoroethanol 464.31
    methyl butyrate 288.34

    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
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.03%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.05%