Cyclotene butyrate

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  • Identifiers

    CAS number
    68227-51-0

    Molecular formula
    C10H14O3

    SMILES
    CCCC(=O)OC1=C(CCC1=O)C

  • Odor profile

    Fruity 81.7%
    Caramellic 81.07%
    Buttery 47.58%
    Nutty 47.06%
    Sweet 45.79%
    Burnt 42.05%
    Creamy 38.66%
    Winey 29.83%
    Roasted 29.62%
    Fatty 29.33%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    285°C

    Flash point est.
    109.46 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water; soluble in fats and oils
    • Soluble (in ethanol)

  • Synonyms

    • 68227-51-0
    • 2-methyl-5-oxocyclopent-1-en-1-yl butyrate
    • Cyclotene butyrate
    • 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate
    • AQY4Q6ZUD4
    • Butanoic acid, 2-methyl-5-oxo-1-cyclopenten-1-yl ester
    • 2-Methyl-5-oxo-1-cyclopentenyl Butyrate
    • (2-methyl-5-oxocyclopenten-1-yl) butanoate
    • EINECS 269-363-2
    • DTXSID2071289
    • FEMA NO. 4648
    • 3-Methyl-2-hydroxy-2-cyclopenten-1-one, butyrate
    • 2-METHYL-5-OXOCYCLOPENT-1-EN-1-YL BUTANOATE
    • 2-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE BUTYRATE
    • BUTYRIC ACID, 2-METHYL-5-OXO-1-CYCLOPENTEN-1-YL ESTER
    • UNII-AQY4Q6ZUD4
    • MFCD00798052
    • 2-Methyl-5-oxocyclopent-1-en-1-ylbutyrate
    • Butyric Acid 2-Methyl-5-oxo-1-cyclopentenyl Ester
    • DTXCID2045739
    • SCHEMBL18339154
    • AKOS006271989
    • DS-5718
    • CS-0152460
    • M2486
    • NS00022680
    • 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate #
    • D82570
    • Q27274067
    • 269-363-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1480.76
    methanol 2074.26
    isopropanol 1463.86
    water 5.08
    ethyl acetate 896.99
    n-propanol 1206.92
    acetone 1808.85
    n-butanol 1304.85
    acetonitrile 1255.33
    DMF 2522.74
    toluene 584.35
    isobutanol 1112.76
    1,4-dioxane 1452.04
    methyl acetate 1056.21
    THF 1354.54
    2-butanone 1374.63
    n-pentanol 936.59
    sec-butanol 1401.7
    n-hexane 42.15
    ethylene glycol 269.98
    NMP 1323.5
    cyclohexane 70.81
    DMSO 1223.92
    n-butyl acetate 843.65
    n-octanol 353.26
    chloroform 3006.17
    n-propyl acetate 713.96
    acetic acid 1650.2
    dichloromethane 2269.38
    cyclohexanone 1488.58
    propylene glycol 381.22
    isopropyl acetate 685.09
    DMAc 1905.77
    2-ethoxyethanol 1028.65
    isopentanol 1265.29
    n-heptane 14.88
    ethyl formate 949.48
    1,2-dichloroethane 1393.97
    n-hexanol 668.76
    2-methoxyethanol 1636.65
    isobutyl acetate 483.29
    tetrachloromethane 282.39
    n-pentyl acetate 475.31
    transcutol 1807.58
    n-heptanol 314.34
    ethylbenzene 417.08
    MIBK 637.66
    2-propoxyethanol 929.08
    tert-butanol 1596.06
    MTBE 1132.67
    2-butoxyethanol 592.24
    propionic acid 797.46
    o-xylene 390.88
    formic acid 612.82
    diethyl ether 711.51
    m-xylene 365.4
    p-xylene 612.86
    chlorobenzene 928.09
    dimethyl carbonate 386.55
    n-octane 15.63
    formamide 916.97
    cyclopentanone 1276.36
    2-pentanone 1009.54
    anisole 810.13
    cyclopentyl methyl ether 603.88
    gamma-butyrolactone 1394.31
    1-methoxy-2-propanol 1054.94
    pyridine 1522.77
    3-pentanone 635.23
    furfural 1647.88
    n-dodecane 21.23
    diethylene glycol 714.28
    diisopropyl ether 205.29
    tert-amyl alcohol 1446.21
    acetylacetone 1074.06
    n-hexadecane 24.23
    acetophenone 812.65
    methyl propionate 670.76
    isopentyl acetate 793.34
    trichloroethylene 2894.78
    n-nonanol 280.44
    cyclohexanol 933.8
    benzyl alcohol 891.8
    2-ethylhexanol 353.68
    isooctanol 272.32
    dipropyl ether 196.92
    1,2-dichlorobenzene 769.17
    ethyl lactate 333.14
    propylene carbonate 1038.93
    n-methylformamide 1233.76
    2-pentanol 885.1
    n-pentane 40.14
    1-propoxy-2-propanol 558.05
    1-methoxy-2-propyl acetate 555.57
    2-(2-methoxypropoxy) propanol 464.59
    mesitylene 209.84
    ε-caprolactone 1217.79
    p-cymene 165.98
    epichlorohydrin 1721.22
    1,1,1-trichloroethane 1251.18
    2-aminoethanol 600.04
    morpholine-4-carbaldehyde 1373.52
    sulfolane 1201.44
    2,2,4-trimethylpentane 47.97
    2-methyltetrahydrofuran 1122.33
    n-hexyl acetate 686.05
    isooctane 31.0
    2-(2-butoxyethoxy)ethanol 652.14
    sec-butyl acetate 513.9
    tert-butyl acetate 671.72
    decalin 67.71
    glycerin 465.43
    diglyme 1166.6
    acrylic acid 788.2
    isopropyl myristate 210.83
    n-butyric acid 1366.86
    acetyl acetate 689.89
    di(2-ethylhexyl) phthalate 217.46
    ethyl propionate 542.12
    nitromethane 2123.63
    1,2-diethoxyethane 600.83
    benzonitrile 1083.96
    trioctyl phosphate 154.28
    1-bromopropane 737.75
    gamma-valerolactone 1781.58
    n-decanol 195.7
    triethyl phosphate 200.32
    4-methyl-2-pentanol 462.9
    propionitrile 1043.43
    vinylene carbonate 1064.04
    1,1,2-trichlorotrifluoroethane 1200.38
    DMS 511.2
    cumene 264.15
    2-octanol 271.81
    2-hexanone 776.29
    octyl acetate 291.06
    limonene 212.2
    1,2-dimethoxyethane 1613.62
    ethyl orthosilicate 188.02
    tributyl phosphate 201.68
    diacetone alcohol 759.81
    N,N-dimethylaniline 502.3
    acrylonitrile 1261.93
    aniline 807.57
    1,3-propanediol 1067.44
    bromobenzene 948.24
    dibromomethane 1421.9
    1,1,2,2-tetrachloroethane 2281.17
    2-methyl-cyclohexyl acetate 334.97
    tetrabutyl urea 253.73
    diisobutyl methanol 192.95
    2-phenylethanol 604.97
    styrene 552.75
    dioctyl adipate 271.63
    dimethyl sulfate 505.31
    ethyl butyrate 435.77
    methyl lactate 372.21
    butyl lactate 369.49
    diethyl carbonate 326.18
    propanediol butyl ether 567.59
    triethyl orthoformate 279.34
    p-tert-butyltoluene 154.29
    methyl 4-tert-butylbenzoate 436.8
    morpholine 1620.71
    tert-butylamine 853.48
    n-dodecanol 144.34
    dimethoxymethane 911.11
    ethylene carbonate 915.51
    cyrene 462.93
    2-ethoxyethyl acetate 562.59
    2-ethylhexyl acetate 541.72
    1,2,4-trichlorobenzene 884.65
    4-methylpyridine 1876.02
    dibutyl ether 326.94
    2,6-dimethyl-4-heptanol 192.95
    DEF 1138.99
    dimethyl isosorbide 589.25
    tetrachloroethylene 1393.97
    eugenol 538.72
    triacetin 461.39
    span 80 366.47
    1,4-butanediol 496.03
    1,1-dichloroethane 1620.8
    2-methyl-1-pentanol 1004.63
    methyl formate 1010.94
    2-methyl-1-butanol 1224.4
    n-decane 33.29
    butyronitrile 1208.24
    3,7-dimethyl-1-octanol 348.9
    1-chlorooctane 198.38
    1-chlorotetradecane 74.55
    n-nonane 28.63
    undecane 25.42
    tert-butylcyclohexane 62.08
    cyclooctane 19.25
    cyclopentanol 826.23
    tetrahydropyran 1240.5
    tert-amyl methyl ether 749.1
    2,5,8-trioxanonane 693.26
    1-hexene 292.64
    2-isopropoxyethanol 703.1
    2,2,2-trifluoroethanol 533.69
    methyl butyrate 923.04

    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