Cyclotene propionate

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  • Identifiers

    CAS number
    87-55-8

    Molecular formula
    C9H12O3

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

  • Odor profile

    Fragrance
    Caramellic 84.4%
    Fruity 61.46%
    Nutty 53.75%
    Burnt 51.09%
    Buttery 49.64%
    Sweet 41.23%
    Roasted 40.52%
    Creamy 37.57%
    Coffee 28.3%
    Fatty 27.48%

     

    Flavor
    Caramel 62.39%
    Fruity 61.65%
    Sweet 50.16%
    Maple 35.62%
    Sugar 32.22%
    Tobacco 29.28%
    Grape 28.06%
    Buttery 25.85%
    Smoky 25.53%
    Creamy 24.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.59 (neutral)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 106.32 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 87-55-8
    • Cyclotene propionate
    • 2-Methyl-5-oxocyclopent-1-en-1-yl propionate
    • 2-Methyl-5-oxocyclopent-1-enyl propionate
    • (2-methyl-5-oxocyclopenten-1-yl) propanoate
    • 2-Methyl-5-oxo-1-cyclopentenyl Propionate
    • UNII-2FBU83W2QL
    • EINECS 201-751-9
    • 2FBU83W2QL
    • FEMA NO. 4511
    • DTXSID60236040
    • 2-Cyclopenten-1-one, 3-methyl-2-(1-oxopropoxy)-
    • 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-, propionate
    • 2-METHYL-5-OXOCYCLOPENT-1-EN-1-YL PROPANOATE
    • 2-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE PROPIONATE
    • MFCD00798053
    • 2-Methyl-5-oxocyclopent-1-en-1-ylpropionate
    • SCHEMBL18339252
    • DTXCID60158531
    • NKRMCRMCMGRKHS-UHFFFAOYSA-N
    • AKOS006272264
    • AS-66188
    • CS-0314499
    • M2487
    • NS00022859
    • 2-Methyl-5-oxo-1-cyclopenten-1-yl propionate
    • F16522
    • Propionic Acid 2-Methyl-5-oxo-1-cyclopentenyl Ester
    • Q27254675

  • Applications

    Cyclotene propionate (CAS 87-55-8) is used as an organic synthesis intermediate and can function as a solvent or plasticizer in the processing of plastics, coatings, and printing inks; as an ester propionate, it is considered a potential component in fragrance and cosmetic systems, serving as a fixative or blending solvent in fragrance formulations; in industrial manufacturing, it can act as a processing aid and additive for adhesives and coatings, and may be evaluated as a polymer processing aid to improve handling and flexibility. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 717.24
    methanol 906.35
    isopropanol 745.61
    water 13.56
    ethyl acetate 590.85
    n-propanol 613.02
    acetone 1135.56
    n-butanol 609.19
    acetonitrile 838.72
    DMF 1423.65
    toluene 548.88
    isobutanol 533.46
    1,4-dioxane 795.05
    methyl acetate 876.64
    THF 709.64
    2-butanone 899.95
    n-pentanol 521.14
    sec-butanol 729.44
    n-hexane 28.24
    ethylene glycol 191.69
    NMP 880.8
    cyclohexane 50.46
    DMSO 869.07
    n-butyl acetate 467.34
    n-octanol 323.7
    chloroform 1910.01
    n-propyl acetate 462.77
    acetic acid 626.12
    dichloromethane 2014.12
    cyclohexanone 823.14
    propylene glycol 224.31
    isopropyl acetate 349.85
    DMAc 1443.12
    2-ethoxyethanol 692.54
    isopentanol 552.25
    n-heptane 21.99
    ethyl formate 747.58
    1,2-dichloroethane 943.38
    n-hexanol 365.04
    2-methoxyethanol 866.19
    isobutyl acetate 276.34
    tetrachloromethane 244.56
    n-pentyl acetate 347.44
    transcutol 785.29
    n-heptanol 256.3
    ethylbenzene 402.13
    MIBK 338.18
    2-propoxyethanol 518.35
    tert-butanol 833.33
    MTBE 562.54
    2-butoxyethanol 440.2
    propionic acid 461.17
    o-xylene 423.46
    formic acid 313.29
    diethyl ether 352.91
    m-xylene 342.86
    p-xylene 594.63
    chlorobenzene 651.34
    dimethyl carbonate 280.25
    n-octane 23.01
    formamide 617.53
    cyclopentanone 839.07
    2-pentanone 555.02
    anisole 662.43
    cyclopentyl methyl ether 305.74
    gamma-butyrolactone 999.21
    1-methoxy-2-propanol 560.62
    pyridine 1101.6
    3-pentanone 423.59
    furfural 1357.6
    n-dodecane 31.72
    diethylene glycol 396.96
    diisopropyl ether 110.15
    tert-amyl alcohol 759.74
    acetylacetone 640.17
    n-hexadecane 35.5
    acetophenone 698.2
    methyl propionate 472.58
    isopentyl acetate 445.13
    trichloroethylene 1950.95
    n-nonanol 267.99
    cyclohexanol 467.7
    benzyl alcohol 727.21
    2-ethylhexanol 242.9
    isooctanol 217.3
    dipropyl ether 145.14
    1,2-dichlorobenzene 591.34
    ethyl lactate 254.09
    propylene carbonate 697.22
    n-methylformamide 752.23
    2-pentanol 409.4
    n-pentane 34.43
    1-propoxy-2-propanol 347.84
    1-methoxy-2-propyl acetate 341.86
    2-(2-methoxypropoxy) propanol 366.32
    mesitylene 189.92
    ε-caprolactone 758.62
    p-cymene 188.63
    epichlorohydrin 1171.67
    1,1,1-trichloroethane 877.92
    2-aminoethanol 354.35
    morpholine-4-carbaldehyde 931.07
    sulfolane 850.29
    2,2,4-trimethylpentane 36.93
    2-methyltetrahydrofuran 619.36
    n-hexyl acetate 478.25
    isooctane 23.99
    2-(2-butoxyethoxy)ethanol 433.71
    sec-butyl acetate 305.48
    tert-butyl acetate 333.46
    decalin 51.86
    glycerin 259.67
    diglyme 850.61
    acrylic acid 437.88
    isopropyl myristate 186.26
    n-butyric acid 578.49
    acetyl acetate 398.62
    di(2-ethylhexyl) phthalate 191.72
    ethyl propionate 370.27
    nitromethane 1266.59
    1,2-diethoxyethane 384.05
    benzonitrile 892.35
    trioctyl phosphate 144.63
    1-bromopropane 519.26
    gamma-valerolactone 1143.12
    n-decanol 203.12
    triethyl phosphate 171.54
    4-methyl-2-pentanol 233.21
    propionitrile 629.59
    vinylene carbonate 795.07
    1,1,2-trichlorotrifluoroethane 765.37
    DMS 375.17
    cumene 266.17
    2-octanol 229.42
    2-hexanone 480.03
    octyl acetate 266.72
    limonene 206.57
    1,2-dimethoxyethane 1036.5
    ethyl orthosilicate 153.42
    tributyl phosphate 161.98
    diacetone alcohol 420.86
    N,N-dimethylaniline 469.16
    acrylonitrile 845.48
    aniline 557.49
    1,3-propanediol 497.61
    bromobenzene 706.84
    dibromomethane 1174.41
    1,1,2,2-tetrachloroethane 1333.24
    2-methyl-cyclohexyl acetate 267.55
    tetrabutyl urea 230.09
    diisobutyl methanol 145.88
    2-phenylethanol 483.62
    styrene 493.34
    dioctyl adipate 252.55
    dimethyl sulfate 379.05
    ethyl butyrate 325.6
    methyl lactate 254.27
    butyl lactate 245.73
    diethyl carbonate 270.12
    propanediol butyl ether 353.08
    triethyl orthoformate 196.59
    p-tert-butyltoluene 173.35
    methyl 4-tert-butylbenzoate 405.9
    morpholine 784.87
    tert-butylamine 498.76
    n-dodecanol 159.74
    dimethoxymethane 602.94
    ethylene carbonate 596.29
    cyrene 363.04
    2-ethoxyethyl acetate 426.4
    2-ethylhexyl acetate 336.43
    1,2,4-trichlorobenzene 673.83
    4-methylpyridine 1194.31
    dibutyl ether 248.22
    2,6-dimethyl-4-heptanol 145.88
    DEF 677.57
    dimethyl isosorbide 463.93
    tetrachloroethylene 822.86
    eugenol 452.05
    triacetin 373.31
    span 80 275.02
    1,4-butanediol 329.89
    1,1-dichloroethane 1026.52
    2-methyl-1-pentanol 540.16
    methyl formate 704.95
    2-methyl-1-butanol 553.92
    n-decane 43.71
    butyronitrile 676.94
    3,7-dimethyl-1-octanol 287.84
    1-chlorooctane 191.69
    1-chlorotetradecane 91.07
    n-nonane 37.21
    undecane 36.39
    tert-butylcyclohexane 51.56
    cyclooctane 17.46
    cyclopentanol 456.74
    tetrahydropyran 535.4
    tert-amyl methyl ether 424.22
    2,5,8-trioxanonane 557.4
    1-hexene 167.63
    2-isopropoxyethanol 485.41
    2,2,2-trifluoroethanol 296.3
    methyl butyrate 613.09

    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