Einecs 284-741-7

Overview IFRA Request a quote

  • Identifiers

    CAS number
    84962-44-7

    Molecular formula
    C13H20O3

    SMILES
    CCCC/C=C\1/C(CCC1=O)CC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 70.92%
    Green 68.03%
    Jasmin 65.87%
    Fruity 65.01%
    Sweet 43.45%
    Herbal 42.9%
    Lactonic 41.18%
    Fresh 39.39%
    Oily 38.93%
    Waxy 34.21%

     

    Flavor
    Floral 44.35%
    Herbal 42.43%
    Oily 33.23%
    Fresh 31.75%
    Jasmin 31.24%
    Spicy 26.77%
    Celery 25.02%
    Minty 23.46%
    Fruity 22.83%
    Waxy 22.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.24 (weak base)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 136.09 ˚C est.

  • Synonyms

    • EINECS 284-741-7
    • Methyl 3-oxo-2-pentylidenecyclopentaneacetate
    • 84962-44-7
    • SCHEMBL4445338
    • BJWUCYNWZYDBHN-WDZFZDKYSA-N
    • 84962-44-7

  • Applications

    Primarily used as an organic synthesis intermediate and can function as a solvent or processing aid in coatings, inks, and adhesives. It is also used as a plasticizer or processing additive for polymers to improve handling and flexibility. Additionally, it can serve as a precursor for specialty chemicals intended for electronics manufacturing and cleaning formulations, depending on local regulations and formulation constraints. Einecs 284-741-7; CAS 84962-44-7.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1183.11
    methanol 1854.69
    isopropanol 903.89
    water 0.59
    ethyl acetate 1372.83
    n-propanol 894.77
    acetone 2051.93
    n-butanol 834.54
    acetonitrile 1526.78
    DMF 2794.99
    toluene 613.54
    isobutanol 676.61
    1,4-dioxane 1782.78
    methyl acetate 1022.59
    THF 1797.88
    2-butanone 1283.55
    n-pentanol 519.2
    sec-butanol 696.78
    n-hexane 15.21
    ethylene glycol 218.94
    NMP 1834.12
    cyclohexane 46.36
    DMSO 2362.78
    n-butyl acetate 614.93
    n-octanol 96.64
    chloroform 3571.06
    n-propyl acetate 658.22
    acetic acid 1521.53
    dichloromethane 2933.14
    cyclohexanone 1671.09
    propylene glycol 335.07
    isopropyl acetate 850.18
    DMAc 1811.7
    2-ethoxyethanol 866.79
    isopentanol 778.97
    n-heptane 4.09
    ethyl formate 709.97
    1,2-dichloroethane 1871.1
    n-hexanol 330.87
    2-methoxyethanol 1568.5
    isobutyl acetate 409.33
    tetrachloromethane 275.11
    n-pentyl acetate 290.64
    transcutol 3155.18
    n-heptanol 111.39
    ethylbenzene 243.38
    MIBK 629.53
    2-propoxyethanol 711.87
    tert-butanol 1088.4
    MTBE 909.92
    2-butoxyethanol 345.08
    propionic acid 821.0
    o-xylene 309.27
    formic acid 535.02
    diethyl ether 875.67
    m-xylene 365.26
    p-xylene 310.57
    chlorobenzene 909.46
    dimethyl carbonate 440.12
    n-octane 2.49
    formamide 1010.25
    cyclopentanone 1790.89
    2-pentanone 1094.18
    anisole 641.65
    cyclopentyl methyl ether 804.79
    gamma-butyrolactone 2042.32
    1-methoxy-2-propanol 1125.42
    pyridine 1789.84
    3-pentanone 696.4
    furfural 1691.87
    n-dodecane 3.26
    diethylene glycol 641.23
    diisopropyl ether 184.34
    tert-amyl alcohol 750.78
    acetylacetone 1305.19
    n-hexadecane 4.07
    acetophenone 623.66
    methyl propionate 906.89
    isopentyl acetate 560.54
    trichloroethylene 3867.43
    n-nonanol 90.95
    cyclohexanol 718.43
    benzyl alcohol 612.12
    2-ethylhexanol 165.79
    isooctanol 104.39
    dipropyl ether 143.33
    1,2-dichlorobenzene 754.59
    ethyl lactate 265.12
    propylene carbonate 1033.54
    n-methylformamide 1236.98
    2-pentanol 466.42
    n-pentane 13.54
    1-propoxy-2-propanol 425.17
    1-methoxy-2-propyl acetate 630.42
    2-(2-methoxypropoxy) propanol 399.82
    mesitylene 181.79
    ε-caprolactone 1414.53
    p-cymene 93.44
    epichlorohydrin 2254.74
    1,1,1-trichloroethane 1472.46
    2-aminoethanol 518.73
    morpholine-4-carbaldehyde 1644.68
    sulfolane 1811.87
    2,2,4-trimethylpentane 18.48
    2-methyltetrahydrofuran 1336.52
    n-hexyl acetate 381.4
    isooctane 13.97
    2-(2-butoxyethoxy)ethanol 600.83
    sec-butyl acetate 481.35
    tert-butyl acetate 794.5
    decalin 33.26
    glycerin 514.72
    diglyme 1178.45
    acrylic acid 761.91
    isopropyl myristate 118.9
    n-butyric acid 1285.02
    acetyl acetate 816.11
    di(2-ethylhexyl) phthalate 158.49
    ethyl propionate 531.79
    nitromethane 2499.67
    1,2-diethoxyethane 611.28
    benzonitrile 800.48
    trioctyl phosphate 90.22
    1-bromopropane 708.88
    gamma-valerolactone 2154.74
    n-decanol 64.17
    triethyl phosphate 158.98
    4-methyl-2-pentanol 261.4
    propionitrile 910.41
    vinylene carbonate 970.98
    1,1,2-trichlorotrifluoroethane 1502.34
    DMS 472.87
    cumene 139.1
    2-octanol 72.97
    2-hexanone 580.92
    octyl acetate 148.38
    limonene 129.74
    1,2-dimethoxyethane 1291.6
    ethyl orthosilicate 149.4
    tributyl phosphate 139.97
    diacetone alcohol 803.44
    N,N-dimethylaniline 350.68
    acrylonitrile 1179.38
    aniline 983.62
    1,3-propanediol 822.03
    bromobenzene 925.96
    dibromomethane 1632.75
    1,1,2,2-tetrachloroethane 2902.62
    2-methyl-cyclohexyl acetate 268.18
    tetrabutyl urea 170.52
    diisobutyl methanol 100.35
    2-phenylethanol 402.21
    styrene 377.61
    dioctyl adipate 215.09
    dimethyl sulfate 681.26
    ethyl butyrate 340.09
    methyl lactate 419.08
    butyl lactate 265.4
    diethyl carbonate 258.22
    propanediol butyl ether 376.06
    triethyl orthoformate 234.06
    p-tert-butyltoluene 90.2
    methyl 4-tert-butylbenzoate 351.71
    morpholine 2265.29
    tert-butylamine 529.19
    n-dodecanol 45.53
    dimethoxymethane 1162.32
    ethylene carbonate 827.7
    cyrene 425.5
    2-ethoxyethyl acetate 551.73
    2-ethylhexyl acetate 393.56
    1,2,4-trichlorobenzene 936.35
    4-methylpyridine 1910.53
    dibutyl ether 141.89
    2,6-dimethyl-4-heptanol 100.35
    DEF 1275.99
    dimethyl isosorbide 608.97
    tetrachloroethylene 1576.63
    eugenol 366.59
    triacetin 438.73
    span 80 307.43
    1,4-butanediol 286.61
    1,1-dichloroethane 1970.6
    2-methyl-1-pentanol 475.86
    methyl formate 837.78
    2-methyl-1-butanol 675.92
    n-decane 5.47
    butyronitrile 923.81
    3,7-dimethyl-1-octanol 136.2
    1-chlorooctane 56.71
    1-chlorotetradecane 21.24
    n-nonane 4.3
    undecane 4.0
    tert-butylcyclohexane 27.36
    cyclooctane 9.6
    cyclopentanol 677.79
    tetrahydropyran 1404.71
    tert-amyl methyl ether 492.64
    2,5,8-trioxanonane 709.52
    1-hexene 136.76
    2-isopropoxyethanol 564.92
    2,2,2-trifluoroethanol 494.12
    methyl butyrate 795.59

    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