Agglomerone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    22595-43-3

    Molecular formula
    C13H18O4

    SMILES
    CC(C)C(=O)C1C(=O)C=C(C(C1=O)(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 54.15%
    Caramellic 50.14%
    Burnt 34.27%
    Mint 31.88%
    Sweet 28.94%
    Tobacco 25.99%
    Roasted 24.28%
    Nutty 23.06%
    Berry 22.79%
    Woody 22.69%

     

    Flavor
    Bitter 40.17%
    Fruity 37.48%
    Cedarleaf 20.17%
    Cotton candy 19.99%
    Toffee 19.93%
    Extremely sweet 19.76%
    Seedy 19.57%
    Mildew 19.56%
    Molasses 19.51%
    Fenugreek 19.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.21 (neutral)

    Molecular weight
    238.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 128.74 ˚C est.

  • Synonyms

    • Agglomerone
    • RefChem:110144
    • 22595-43-3
    • NQBCCNHGJDEUDS-UHFFFAOYSA-N
    • SCHEMBL1573382
    • 22595-43-3

  • Applications

    Agglomerone (CAS 22595-43-3) is commonly evaluated as an agglomerating agent and processing aid for solid materials, aiding particle cohesion and controlled granule formation. In practice, it may find use in mineral ore pelletization and briquetting, ceramic and brick production, fertilizer granulation, and as a binder or additive in polymer or composite formulations; it can also serve in catalyst-support preparations and in feed pellet manufacture, subject to formulation specifics and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.71
    methanol 44.88
    isopropanol 43.88
    water 0.25
    ethyl acetate 92.26
    n-propanol 42.78
    acetone 109.89
    n-butanol 47.13
    acetonitrile 79.24
    DMF 189.25
    toluene 139.02
    isobutanol 42.34
    1,4-dioxane 189.84
    methyl acetate 124.14
    THF 312.84
    2-butanone 121.86
    n-pentanol 39.85
    sec-butanol 46.78
    n-hexane 4.94
    ethylene glycol 13.58
    NMP 268.86
    cyclohexane 14.87
    DMSO 137.47
    n-butyl acetate 70.62
    n-octanol 29.0
    chloroform 407.28
    n-propyl acetate 62.7
    acetic acid 51.75
    dichloromethane 309.26
    cyclohexanone 208.84
    propylene glycol 18.42
    isopropyl acetate 61.82
    DMAc 238.05
    2-ethoxyethanol 58.02
    isopentanol 53.24
    n-heptane 3.18
    ethyl formate 89.66
    1,2-dichloroethane 187.6
    n-hexanol 60.64
    2-methoxyethanol 89.7
    isobutyl acetate 47.31
    tetrachloromethane 55.18
    n-pentyl acetate 50.29
    transcutol 73.5
    n-heptanol 31.45
    ethylbenzene 73.1
    MIBK 66.4
    2-propoxyethanol 95.27
    tert-butanol 66.69
    MTBE 52.38
    2-butoxyethanol 56.27
    propionic acid 54.66
    o-xylene 91.41
    formic acid 27.01
    diethyl ether 47.86
    m-xylene 83.99
    p-xylene 97.48
    chlorobenzene 155.64
    dimethyl carbonate 57.04
    n-octane 2.26
    formamide 42.3
    cyclopentanone 253.47
    2-pentanone 92.15
    anisole 117.01
    cyclopentyl methyl ether 112.97
    gamma-butyrolactone 251.6
    1-methoxy-2-propanol 71.72
    pyridine 210.73
    3-pentanone 80.6
    furfural 242.68
    n-dodecane 2.48
    diethylene glycol 76.46
    diisopropyl ether 17.73
    tert-amyl alcohol 63.54
    acetylacetone 116.17
    n-hexadecane 3.04
    acetophenone 120.98
    methyl propionate 89.11
    isopentyl acetate 69.94
    trichloroethylene 389.52
    n-nonanol 27.66
    cyclohexanol 88.1
    benzyl alcohol 103.96
    2-ethylhexanol 41.03
    isooctanol 26.58
    dipropyl ether 26.81
    1,2-dichlorobenzene 136.86
    ethyl lactate 44.51
    propylene carbonate 164.39
    n-methylformamide 78.66
    2-pentanol 32.68
    n-pentane 4.26
    1-propoxy-2-propanol 59.5
    1-methoxy-2-propyl acetate 78.28
    2-(2-methoxypropoxy) propanol 57.86
    mesitylene 47.01
    ε-caprolactone 180.83
    p-cymene 38.08
    epichlorohydrin 282.68
    1,1,1-trichloroethane 186.04
    2-aminoethanol 23.83
    morpholine-4-carbaldehyde 204.23
    sulfolane 264.32
    2,2,4-trimethylpentane 4.79
    2-methyltetrahydrofuran 193.53
    n-hexyl acetate 67.04
    isooctane 3.39
    2-(2-butoxyethoxy)ethanol 58.75
    sec-butyl acetate 49.68
    tert-butyl acetate 68.14
    decalin 14.36
    glycerin 32.73
    diglyme 107.69
    acrylic acid 54.43
    isopropyl myristate 27.29
    n-butyric acid 73.62
    acetyl acetate 73.23
    di(2-ethylhexyl) phthalate 39.91
    ethyl propionate 66.01
    nitromethane 120.6
    1,2-diethoxyethane 40.95
    benzonitrile 130.86
    trioctyl phosphate 26.82
    1-bromopropane 92.64
    gamma-valerolactone 246.06
    n-decanol 20.86
    triethyl phosphate 42.69
    4-methyl-2-pentanol 27.14
    propionitrile 77.76
    vinylene carbonate 149.86
    1,1,2-trichlorotrifluoroethane 161.45
    DMS 77.05
    cumene 47.6
    2-octanol 23.84
    2-hexanone 70.15
    octyl acetate 37.0
    limonene 44.79
    1,2-dimethoxyethane 127.06
    ethyl orthosilicate 38.24
    tributyl phosphate 30.23
    diacetone alcohol 86.1
    N,N-dimethylaniline 85.25
    acrylonitrile 98.09
    aniline 115.46
    1,3-propanediol 45.44
    bromobenzene 170.17
    dibromomethane 221.37
    1,1,2,2-tetrachloroethane 298.93
    2-methyl-cyclohexyl acetate 63.14
    tetrabutyl urea 43.6
    diisobutyl methanol 23.6
    2-phenylethanol 103.8
    styrene 83.74
    dioctyl adipate 42.99
    dimethyl sulfate 96.5
    ethyl butyrate 55.2
    methyl lactate 53.56
    butyl lactate 43.9
    diethyl carbonate 47.72
    propanediol butyl ether 43.74
    triethyl orthoformate 41.11
    p-tert-butyltoluene 34.77
    methyl 4-tert-butylbenzoate 80.86
    morpholine 183.45
    tert-butylamine 37.5
    n-dodecanol 15.86
    dimethoxymethane 110.36
    ethylene carbonate 124.07
    cyrene 102.24
    2-ethoxyethyl acetate 63.47
    2-ethylhexyl acetate 59.58
    1,2,4-trichlorobenzene 168.75
    4-methylpyridine 230.6
    dibutyl ether 23.79
    2,6-dimethyl-4-heptanol 23.6
    DEF 108.16
    dimethyl isosorbide 120.97
    tetrachloroethylene 190.05
    eugenol 77.61
    triacetin 60.67
    span 80 49.32
    1,4-butanediol 24.6
    1,1-dichloroethane 171.98
    2-methyl-1-pentanol 49.93
    methyl formate 87.58
    2-methyl-1-butanol 51.24
    n-decane 3.93
    butyronitrile 81.06
    3,7-dimethyl-1-octanol 31.78
    1-chlorooctane 23.25
    1-chlorotetradecane 10.2
    n-nonane 3.29
    undecane 3.03
    tert-butylcyclohexane 10.57
    cyclooctane 4.96
    cyclopentanol 95.2
    tetrahydropyran 159.06
    tert-amyl methyl ether 50.37
    2,5,8-trioxanonane 82.17
    1-hexene 22.05
    2-isopropoxyethanol 49.96
    2,2,2-trifluoroethanol 37.5
    methyl butyrate 93.75

    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