Brassica oleracea botrytis, ext.

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  • Identifiers

    CAS number
    223749-36-8

    Molecular formula
    C92H110Cl10O18

    SMILES
    CCC(=CC(C)C(=O)O)CCl.CCC(=CC(C1=CC=CC=C1)C(=O)O)CCl.CCC(=CC(C1=CC=C(C=C1)OC)C(=O)O)CCl.CCC(=CC(C1=CC=CC=C1Cl)C(=O)O)CCl.CC(C=C(C)CCl)C(=O)O.CC(=CC(C1=CC=CC=C1)C(=O)O)CCl.CC(=CC(C1=CC=C(C=C1)OC)C(=O)O)CCl.CC(=CC(C1=CC=CC=C1Cl)C(=O)O)CCl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 34.32%
    Fatty 31.81%
    Cheesy 29.39%
    Milky 27.98%
    Citrus 25.48%
    Odorless 25.3%
    Dairy 24.86%
    Herbal 24.39%
    Dry 24.3%
    Fresh 24.1%

     

    Flavor
    Odorless 30.22%
    Mild 21.6%
    Acrid 19.94%
    Mouldy 19.46%
    Matches 19.3%
    Ocimene 19.16%
    Roquefort cheese 19.11%
    Nitrile 19.04%
    Bloody 18.77%
    Cedarleaf 18.73%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.8 (neutral)

    Molecular weight
    1858.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    258°C

    Flash point

    • 127.58 ˚C est.

  • Synonyms

    • 223749-36-8
    • RefChem:570209
    • DTXSID801041972
    • BRASSICA OLERACEA BOTRYTIS, EXT.
    • 223749-36-8

  • Applications

    Chemical name: Brassica oleracea botrytis, ext.; CAS number: 223749-36-8 is a botanical extract derived from Brassica oleracea botrytis (cauliflower). In industry, it is evaluated and used as a botanical extract across several applications: in cosmetics/personal care as a source of phytochemicals with potential antioxidant activity; in food processing as a natural extract used to add functional constituents; in agriculture as a biostimulant or crop-protection component; in household care products as a natural fragrance or active extract in cleaning formulations. Applications may be limited by local regulations and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 298.26
    methanol 268.69
    isopropanol 298.61
    water 4.0
    ethyl acetate 95.04
    n-propanol 225.89
    acetone 237.41
    n-butanol 203.13
    acetonitrile 99.37
    DMF 690.33
    toluene 59.59
    isobutanol 192.26
    1,4-dioxane 316.21
    methyl acetate 115.76
    THF 373.84
    2-butanone 179.18
    n-pentanol 160.22
    sec-butanol 220.23
    n-hexane 9.11
    ethylene glycol 113.41
    NMP 477.17
    cyclohexane 12.82
    DMSO 561.34
    n-butyl acetate 121.67
    n-octanol 98.8
    chloroform 228.28
    n-propyl acetate 81.53
    acetic acid 159.63
    dichloromethane 272.37
    cyclohexanone 280.35
    propylene glycol 122.6
    isopropyl acetate 79.78
    DMAc 454.7
    2-ethoxyethanol 209.4
    isopentanol 176.15
    n-heptane 10.71
    ethyl formate 98.27
    1,2-dichloroethane 181.44
    n-hexanol 167.94
    2-methoxyethanol 298.42
    isobutyl acetate 66.85
    tetrachloromethane 42.52
    n-pentyl acetate 96.08
    transcutol 360.0
    n-heptanol 107.7
    ethylbenzene 51.21
    MIBK 111.92
    2-propoxyethanol 244.65
    tert-butanol 356.19
    MTBE 166.96
    2-butoxyethanol 165.59
    propionic acid 134.68
    o-xylene 78.71
    formic acid 82.5
    diethyl ether 97.54
    m-xylene 80.5
    p-xylene 67.14
    chlorobenzene 86.83
    dimethyl carbonate 49.99
    n-octane 7.32
    formamide 117.6
    cyclopentanone 317.84
    2-pentanone 153.22
    anisole 114.31
    cyclopentyl methyl ether 148.2
    gamma-butyrolactone 310.01
    1-methoxy-2-propanol 260.11
    pyridine 159.42
    3-pentanone 99.69
    furfural 265.57
    n-dodecane 7.32
    diethylene glycol 206.05
    diisopropyl ether 37.36
    tert-amyl alcohol 256.57
    acetylacetone 160.37
    n-hexadecane 8.22
    acetophenone 121.82
    methyl propionate 90.8
    isopentyl acetate 125.22
    trichloroethylene 308.68
    n-nonanol 86.02
    cyclohexanol 169.23
    benzyl alcohol 121.67
    2-ethylhexanol 101.3
    isooctanol 91.36
    dipropyl ether 69.03
    1,2-dichlorobenzene 95.7
    ethyl lactate 64.87
    propylene carbonate 164.66
    n-methylformamide 205.94
    2-pentanol 142.73
    n-pentane 10.4
    1-propoxy-2-propanol 177.12
    1-methoxy-2-propyl acetate 127.42
    2-(2-methoxypropoxy) propanol 143.99
    mesitylene 56.69
    ε-caprolactone 218.42
    p-cymene 50.77
    epichlorohydrin 304.06
    1,1,1-trichloroethane 142.79
    2-aminoethanol 181.93
    morpholine-4-carbaldehyde 391.53
    sulfolane 466.78
    2,2,4-trimethylpentane 12.12
    2-methyltetrahydrofuran 245.74
    n-hexyl acetate 127.11
    isooctane 10.03
    2-(2-butoxyethoxy)ethanol 189.22
    sec-butyl acetate 64.31
    tert-butyl acetate 113.26
    decalin 14.46
    glycerin 156.77
    diglyme 303.66
    acrylic acid 119.99
    isopropyl myristate 55.19
    n-butyric acid 157.85
    acetyl acetate 62.42
    di(2-ethylhexyl) phthalate 69.48
    ethyl propionate 66.35
    nitromethane 212.04
    1,2-diethoxyethane 122.02
    benzonitrile 122.27
    trioctyl phosphate 57.23
    1-bromopropane 95.45
    gamma-valerolactone 384.97
    n-decanol 67.63
    triethyl phosphate 51.37
    4-methyl-2-pentanol 90.89
    propionitrile 93.61
    vinylene carbonate 150.24
    1,1,2-trichlorotrifluoroethane 218.97
    DMS 79.07
    cumene 47.71
    2-octanol 78.38
    2-hexanone 113.1
    octyl acetate 74.74
    limonene 70.83
    1,2-dimethoxyethane 281.31
    ethyl orthosilicate 52.02
    tributyl phosphate 56.15
    diacetone alcohol 181.57
    N,N-dimethylaniline 106.89
    acrylonitrile 120.2
    aniline 105.35
    1,3-propanediol 208.27
    bromobenzene 79.72
    dibromomethane 167.05
    1,1,2,2-tetrachloroethane 257.41
    2-methyl-cyclohexyl acetate 93.29
    tetrabutyl urea 84.21
    diisobutyl methanol 67.79
    2-phenylethanol 126.91
    styrene 50.66
    dioctyl adipate 80.37
    dimethyl sulfate 114.3
    ethyl butyrate 81.78
    methyl lactate 86.02
    butyl lactate 90.78
    diethyl carbonate 52.54
    propanediol butyl ether 159.72
    triethyl orthoformate 63.83
    p-tert-butyltoluene 50.48
    methyl 4-tert-butylbenzoate 139.08
    morpholine 346.23
    tert-butylamine 194.94
    n-dodecanol 52.85
    dimethoxymethane 203.4
    ethylene carbonate 116.15
    cyrene 171.49
    2-ethoxyethyl acetate 113.58
    2-ethylhexyl acetate 90.32
    1,2,4-trichlorobenzene 124.27
    4-methylpyridine 180.48
    dibutyl ether 61.32
    2,6-dimethyl-4-heptanol 67.79
    DEF 191.66
    dimethyl isosorbide 223.13
    tetrachloroethylene 161.18
    eugenol 138.49
    triacetin 108.96
    span 80 139.0
    1,4-butanediol 124.66
    1,1-dichloroethane 169.25
    2-methyl-1-pentanol 146.0
    methyl formate 139.68
    2-methyl-1-butanol 168.65
    n-decane 10.94
    butyronitrile 119.59
    3,7-dimethyl-1-octanol 92.94
    1-chlorooctane 49.7
    1-chlorotetradecane 21.81
    n-nonane 10.03
    undecane 8.79
    tert-butylcyclohexane 15.62
    cyclooctane 6.09
    cyclopentanol 211.9
    tetrahydropyran 228.62
    tert-amyl methyl ether 119.21
    2,5,8-trioxanonane 229.22
    1-hexene 41.31
    2-isopropoxyethanol 156.68
    2,2,2-trifluoroethanol 70.9
    methyl butyrate 101.3

    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