Lipoxidase

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  • Identifiers

    CAS number
    9029-60-1

    Molecular formula
    C58H46N2

    SMILES
    CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC(=CC=C4)C5=CC6=C(C=C5)C7=C(N6C(C=C(C8=CC=C(C=C8)C9=CC=CC=C9)N)C1=CC=CC=C1)CCC1=CC=CC=C17)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.5%
    Fruity 48.61%
    Rose 37.47%
    Neroli 33.8%
    Animal 31.78%
    Grape 28.99%
    Fresh 27.78%
    Orange 24.42%
    Honey 23.31%
    Geranium 23.05%

     

    Flavor
    Bitter 73.36%
    Animal 19.69%
    Very strong 19.18%
    Nitrile 19.04%
    Indole 18.85%
    Moth ball 17.87%
    Naphthelene 17.6%
    Oriental 17.46%
    Cedarleaf 17.2%
    Tar 17.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.4

    pKa est.
    4.46 (weak acid)

    Molecular weight
    771.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4611°C

    Flash point

    • 396.65 ˚C est.

  • Synonyms

    • Lipoxidase
    • 9029-60-1
    • Lipoxidase from Soybean,
    • Lipoxidase from Soybean
    • 3-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,6-dihydrobenzo[c]carbazol-7-yl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine
    • (Z)-3-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,6-dihydrobenzo[c]carbazol-7-yl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine
    • AUMCYORTVSBJGW-UHFFFAOYSA-N
    • C58H46N2
    • G91006
    • 1-([1,1'-biphenyl]-4-yl)-3-(9-(3-(9,9-dimethyl-9H-fluoren-2-yl)phenyl)-5,6-dihydro-7H-benzo[c]carbazol-7-yl)-3-phenylprop-1-en-1-amine
    • 9029-60-1

  • Applications

    Lipoxidase (lipoxygenase; CAS 9029-60-1) is an enzyme that catalyzes the oxygenation of polyunsaturated fatty acids to hydroperoxides and related odor-active intermediates. In practice, it is commonly evaluated for: (1) flavor and aroma development in lipid-containing foods; (2) use as a biocatalyst to synthesize or provide intermediates for fragrance ingredients in the flavor and cosmetics industries; (3) potential to influence sensory properties in bakery products and other lipid-based processing; and (4) use as a research/analytical tool to study lipid oxidation mechanisms and to generate intermediates for industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.12
    methanol 0.18
    isopropanol 0.06
    water 0.0
    ethyl acetate 0.89
    n-propanol 0.18
    acetone 0.7
    n-butanol 0.25
    acetonitrile 0.13
    DMF 1.76
    toluene 2.53
    isobutanol 0.13
    1,4-dioxane 1.67
    methyl acetate 0.74
    THF 4.8
    2-butanone 1.18
    n-pentanol 0.28
    sec-butanol 0.11
    n-hexane 0.04
    ethylene glycol 0.04
    NMP 4.53
    cyclohexane 0.05
    DMSO 1.09
    n-butyl acetate 1.52
    n-octanol 0.27
    chloroform 31.36
    n-propyl acetate 1.07
    acetic acid 0.53
    dichloromethane 20.17
    cyclohexanone 3.5
    propylene glycol 0.05
    isopropyl acetate 1.08
    DMAc 4.62
    2-ethoxyethanol 0.71
    isopentanol 0.26
    n-heptane 0.07
    ethyl formate 0.75
    1,2-dichloroethane 5.27
    n-hexanol 0.3
    2-methoxyethanol 0.67
    isobutyl acetate 1.22
    tetrachloromethane 2.1
    n-pentyl acetate 2.04
    transcutol 2.72
    n-heptanol 0.32
    ethylbenzene 1.11
    MIBK 1.37
    2-propoxyethanol 1.38
    tert-butanol 0.08
    MTBE 0.4
    2-butoxyethanol 1.28
    propionic acid 0.42
    o-xylene 1.16
    formic acid 0.3
    diethyl ether 0.45
    m-xylene 1.5
    p-xylene 1.28
    chlorobenzene 6.93
    dimethyl carbonate 1.79
    n-octane 0.04
    formamide 0.39
    cyclopentanone 4.75
    2-pentanone 1.4
    anisole 2.94
    cyclopentyl methyl ether 1.69
    gamma-butyrolactone 4.87
    1-methoxy-2-propanol 0.62
    pyridine 4.21
    3-pentanone 1.5
    furfural 7.19
    n-dodecane 0.03
    diethylene glycol 0.52
    diisopropyl ether 0.24
    tert-amyl alcohol 0.15
    acetylacetone 2.7
    n-hexadecane 0.04
    acetophenone 3.52
    methyl propionate 1.21
    isopentyl acetate 2.13
    trichloroethylene 26.52
    n-nonanol 0.4
    cyclohexanol 0.27
    benzyl alcohol 1.44
    2-ethylhexanol 0.44
    isooctanol 0.39
    dipropyl ether 0.9
    1,2-dichlorobenzene 8.58
    ethyl lactate 0.77
    propylene carbonate 2.96
    n-methylformamide 0.64
    2-pentanol 0.14
    n-pentane 0.03
    1-propoxy-2-propanol 1.08
    1-methoxy-2-propyl acetate 3.26
    2-(2-methoxypropoxy) propanol 2.27
    mesitylene 0.75
    ε-caprolactone 3.32
    p-cymene 0.9
    epichlorohydrin 8.58
    1,1,1-trichloroethane 5.76
    2-aminoethanol 0.08
    morpholine-4-carbaldehyde 4.22
    sulfolane 6.93
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 1.61
    n-hexyl acetate 1.81
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 1.82
    sec-butyl acetate 1.07
    tert-butyl acetate 1.73
    decalin 0.09
    glycerin 0.19
    diglyme 4.21
    acrylic acid 0.66
    isopropyl myristate 1.12
    n-butyric acid 0.97
    acetyl acetate 1.42
    di(2-ethylhexyl) phthalate 1.78
    ethyl propionate 1.25
    nitromethane 1.41
    1,2-diethoxyethane 1.77
    benzonitrile 1.62
    trioctyl phosphate 0.97
    1-bromopropane 2.06
    gamma-valerolactone 8.39
    n-decanol 0.28
    triethyl phosphate 1.63
    4-methyl-2-pentanol 0.2
    propionitrile 0.33
    vinylene carbonate 4.8
    1,1,2-trichlorotrifluoroethane 8.41
    DMS 2.43
    cumene 0.76
    2-octanol 0.22
    2-hexanone 1.46
    octyl acetate 1.13
    limonene 0.86
    1,2-dimethoxyethane 1.88
    ethyl orthosilicate 1.78
    tributyl phosphate 1.19
    diacetone alcohol 1.22
    N,N-dimethylaniline 2.18
    acrylonitrile 0.58
    aniline 1.64
    1,3-propanediol 0.2
    bromobenzene 10.75
    dibromomethane 9.29
    1,1,2,2-tetrachloroethane 15.97
    2-methyl-cyclohexyl acetate 2.21
    tetrabutyl urea 1.82
    diisobutyl methanol 0.42
    2-phenylethanol 1.77
    styrene 1.48
    dioctyl adipate 2.2
    dimethyl sulfate 3.85
    ethyl butyrate 1.7
    methyl lactate 0.87
    butyl lactate 1.52
    diethyl carbonate 1.29
    propanediol butyl ether 0.69
    triethyl orthoformate 2.13
    p-tert-butyltoluene 0.86
    methyl 4-tert-butylbenzoate 4.26
    morpholine 1.28
    tert-butylamine 0.05
    n-dodecanol 0.2
    dimethoxymethane 1.9
    ethylene carbonate 2.7
    cyrene 3.38
    2-ethoxyethyl acetate 3.77
    2-ethylhexyl acetate 2.04
    1,2,4-trichlorobenzene 11.05
    4-methylpyridine 3.82
    dibutyl ether 0.74
    2,6-dimethyl-4-heptanol 0.42
    DEF 1.88
    dimethyl isosorbide 6.38
    tetrachloroethylene 11.0
    eugenol 3.38
    triacetin 3.22
    span 80 1.79
    1,4-butanediol 0.1
    1,1-dichloroethane 3.38
    2-methyl-1-pentanol 0.4
    methyl formate 0.8
    2-methyl-1-butanol 0.27
    n-decane 0.07
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.48
    1-chlorooctane 0.41
    1-chlorotetradecane 0.17
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.09
    cyclooctane 0.04
    cyclopentanol 0.27
    tetrahydropyran 1.1
    tert-amyl methyl ether 0.56
    2,5,8-trioxanonane 3.39
    1-hexene 0.22
    2-isopropoxyethanol 0.65
    2,2,2-trifluoroethanol 0.48
    methyl butyrate 1.5

    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