2-Acetylcyclopentanone

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  • Identifiers

    CAS number
    1670-46-8

    Molecular formula
    C7H10O2

    SMILES
    CC(=O)C1CCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 75.86%
    Caramellic 67.65%
    Burnt 51.57%
    Ketonic 42.24%
    Mint 35.44%
    Woody 34.28%
    Nutty 33.72%
    Sweet 29.14%
    Berry 28.2%
    Roasted 27.11%

     

    Flavor
    Sweet 44.3%
    Caramel 43.46%
    Fruity 36.89%
    Buttery 29.74%
    Minty 29.21%
    Fatty 26.46%
    Maple 24.36%
    Fenugreek 22.22%
    Cotton candy 21.67%
    Extremely sweet 21.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.38 (neutral)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    219°C

    Flash point

    • 75.56 ˚C est.

  • Synonyms

    • 2-Acetylcyclopentanone
    • 1670-46-8
    • 2-Acetylcyclopentan-1-one
    • Cyclopentanone, 2-acetyl-
    • o-Acetylcyclopentanone
    • Acetylcyclopentanone
    • alpha-Acetylcyclopentanone
    • EINECS 216-797-5
    • NSC 141181
    • BRN 1857601
    • AI3-19254
    • MFCD00001413
    • DTXSID90862730
    • 4-07-00-01993 (Beilstein Handbook Reference)
    • 2-ACETYL CYCLOPENTANONE
    • 2-Acetyl-cyclopentanone
    • .alpha.-Acetylcyclopentanone
    • 2-Acetylcyclopentanone, 98%
    • SCHEMBL535830
    • CHEMBL305069
    • DTXCID80811454
    • NSC141181
    • STK801991
    • AKOS005207311
    • CS-W011158
    • NSC-141181
    • SY048589
    • DB-064629
    • A0869
    • NS00011935
    • EN300-173318
    • F17111
    • F0001-0610

  • Applications

    2-Acetylcyclopentanone (CAS 1670-46-8) is commonly evaluated as a chemical intermediate and fragrance/aroma component across several industries: in perfumery as a fragrance intermediate and aroma-building block; in flavor applications as a flavor intermediate; in cosmetics and personal care as a fragrance ingredient; in industrial manufacturing as a precursor for specialty chemicals; in pharmaceuticals as a synthetic building block for pharmaceutical intermediates; and in household products as a scent additive for cleaners and detergents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 841.24
    methanol 1475.4
    isopropanol 605.51
    water 34.46
    ethyl acetate 602.03
    n-propanol 629.43
    acetone 932.55
    n-butanol 526.97
    acetonitrile 1084.11
    DMF 987.2
    toluene 251.2
    isobutanol 481.31
    1,4-dioxane 1193.38
    methyl acetate 611.58
    THF 1466.67
    2-butanone 584.3
    n-pentanol 395.49
    sec-butanol 474.09
    n-hexane 78.56
    ethylene glycol 337.27
    NMP 1207.92
    cyclohexane 99.43
    DMSO 968.52
    n-butyl acetate 309.55
    n-octanol 221.42
    chloroform 2008.58
    n-propyl acetate 301.72
    acetic acid 1804.79
    dichloromethane 1600.93
    cyclohexanone 868.06
    propylene glycol 286.31
    isopropyl acetate 335.76
    DMAc 679.09
    2-ethoxyethanol 596.65
    isopentanol 442.36
    n-heptane 40.75
    ethyl formate 439.97
    1,2-dichloroethane 756.26
    n-hexanol 389.0
    2-methoxyethanol 967.77
    isobutyl acetate 201.22
    tetrachloromethane 264.62
    n-pentyl acetate 215.95
    transcutol 1946.71
    n-heptanol 158.88
    ethylbenzene 134.45
    MIBK 325.54
    2-propoxyethanol 618.16
    tert-butanol 663.29
    MTBE 424.23
    2-butoxyethanol 294.09
    propionic acid 761.62
    o-xylene 169.35
    formic acid 847.27
    diethyl ether 550.88
    m-xylene 198.73
    p-xylene 182.17
    chlorobenzene 476.27
    dimethyl carbonate 219.11
    n-octane 16.97
    formamide 780.02
    cyclopentanone 1056.36
    2-pentanone 509.15
    anisole 328.42
    cyclopentyl methyl ether 630.96
    gamma-butyrolactone 1390.65
    1-methoxy-2-propanol 643.02
    pyridine 729.72
    3-pentanone 352.55
    furfural 987.97
    n-dodecane 17.31
    diethylene glycol 602.1
    diisopropyl ether 162.41
    tert-amyl alcohol 477.8
    acetylacetone 610.63
    n-hexadecane 19.65
    acetophenone 293.95
    methyl propionate 422.79
    isopentyl acetate 266.94
    trichloroethylene 1505.08
    n-nonanol 177.98
    cyclohexanol 516.64
    benzyl alcohol 301.41
    2-ethylhexanol 177.56
    isooctanol 130.03
    dipropyl ether 196.11
    1,2-dichlorobenzene 406.42
    ethyl lactate 161.7
    propylene carbonate 631.4
    n-methylformamide 673.75
    2-pentanol 349.08
    n-pentane 69.26
    1-propoxy-2-propanol 358.58
    1-methoxy-2-propyl acetate 326.24
    2-(2-methoxypropoxy) propanol 306.52
    mesitylene 127.4
    ε-caprolactone 766.94
    p-cymene 83.2
    epichlorohydrin 1188.12
    1,1,1-trichloroethane 810.49
    2-aminoethanol 475.48
    morpholine-4-carbaldehyde 1001.1
    sulfolane 1176.84
    2,2,4-trimethylpentane 38.06
    2-methyltetrahydrofuran 1024.54
    n-hexyl acetate 390.24
    isooctane 32.33
    2-(2-butoxyethoxy)ethanol 486.6
    sec-butyl acetate 215.35
    tert-butyl acetate 345.87
    decalin 52.64
    glycerin 463.27
    diglyme 775.29
    acrylic acid 779.66
    isopropyl myristate 131.08
    n-butyric acid 762.2
    acetyl acetate 472.28
    di(2-ethylhexyl) phthalate 132.27
    ethyl propionate 250.22
    nitromethane 1863.23
    1,2-diethoxyethane 431.12
    benzonitrile 475.54
    trioctyl phosphate 95.69
    1-bromopropane 436.83
    gamma-valerolactone 1155.73
    n-decanol 122.1
    triethyl phosphate 113.49
    4-methyl-2-pentanol 201.64
    propionitrile 598.71
    vinylene carbonate 600.68
    1,1,2-trichlorotrifluoroethane 743.04
    DMS 315.23
    cumene 101.26
    2-octanol 123.93
    2-hexanone 347.83
    octyl acetate 166.74
    limonene 128.39
    1,2-dimethoxyethane 745.38
    ethyl orthosilicate 112.32
    tributyl phosphate 124.3
    diacetone alcohol 401.85
    N,N-dimethylaniline 207.58
    acrylonitrile 723.59
    aniline 382.76
    1,3-propanediol 590.49
    bromobenzene 457.96
    dibromomethane 954.49
    1,1,2,2-tetrachloroethane 1027.17
    2-methyl-cyclohexyl acetate 184.96
    tetrabutyl urea 152.33
    diisobutyl methanol 113.41
    2-phenylethanol 268.77
    styrene 176.59
    dioctyl adipate 173.43
    dimethyl sulfate 344.62
    ethyl butyrate 211.49
    methyl lactate 250.15
    butyl lactate 177.42
    diethyl carbonate 145.23
    propanediol butyl ether 347.98
    triethyl orthoformate 150.66
    p-tert-butyltoluene 83.18
    methyl 4-tert-butylbenzoate 255.34
    morpholine 1160.5
    tert-butylamine 392.5
    n-dodecanol 89.88
    dimethoxymethane 583.25
    ethylene carbonate 496.23
    cyrene 299.75
    2-ethoxyethyl acetate 332.68
    2-ethylhexyl acetate 193.72
    1,2,4-trichlorobenzene 475.38
    4-methylpyridine 695.5
    dibutyl ether 208.39
    2,6-dimethyl-4-heptanol 113.41
    DEF 499.08
    dimethyl isosorbide 487.5
    tetrachloroethylene 706.48
    eugenol 256.95
    triacetin 327.97
    span 80 271.23
    1,4-butanediol 292.44
    1,1-dichloroethane 902.0
    2-methyl-1-pentanol 336.26
    methyl formate 561.35
    2-methyl-1-butanol 413.16
    n-decane 28.51
    butyronitrile 554.6
    3,7-dimethyl-1-octanol 197.67
    1-chlorooctane 128.36
    1-chlorotetradecane 49.88
    n-nonane 27.84
    undecane 21.27
    tert-butylcyclohexane 49.41
    cyclooctane 30.97
    cyclopentanol 635.28
    tetrahydropyran 895.56
    tert-amyl methyl ether 302.56
    2,5,8-trioxanonane 500.02
    1-hexene 228.43
    2-isopropoxyethanol 399.54
    2,2,2-trifluoroethanol 536.9
    methyl butyrate 331.5

    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