Auroglaucin

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  • Identifiers

    CAS number
    41451-81-4

    Molecular formula
    C19H22O3

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 51.08%
    Fruity 46.99%
    Woody 40.36%
    Sweet 33.53%
    Herbal 32.35%
    Citrus 30.41%
    Fresh 28.64%
    Floral 28.48%
    Balsamic 27.74%
    Warm 25.36%

     

    Flavor
    Bitter 44.77%
    Spicy 34.53%
    Balsam 28.49%
    Herbal 25.0%
    Oriental 23.85%
    Sweet 22.37%
    Balsamic 22.05%
    Nitrile 21.84%
    Woody 20.88%
    Diterpene 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    10.45 (weak base)

    Molecular weight
    298.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    612°C

    Flash point

    • 220.22 ˚C est.

  • Synonyms

    • Auroglaucin
    • Auroglaucine
    • 41451-81-4
    • 2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
    • CHEMBL1813666
    • 2-(1E,3E,5E)-1,3,5-Heptatrien-1-yl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)benzaldehyde
    • 2-[(1E,3E,5E)-HEPTA-1,3,5-TRIEN-1-YL]-3,6-DIHYDROXY-5-(3-METHYLBUT-2-EN-1-YL)BENZALDEHYDE
    • 2-((1E,3E,5E)-Hepta-1,3,5-trien-1-yl)-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde
    • BENZALDEHYDE, 2-(1,3,5-HEPTATRIENYL)-3,6-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-
    • F5EUT2L56J
    • SCHEMBL27968904
    • CHEBI:68191
    • DTXSID501126018
    • BDBM50350089
    • Q27136685
    • Benzaldehyde, 2-(1,3,5-heptatrienyl)-3,6-dihydroxy-5-(3-methyl-2-butenyl)-, (E,E,E)-
    • Benzaldehyde, 2-(1E,3E,5E)-1,3,5-heptatrien-1-yl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)-
    • 41451-81-4

  • Applications

    Auroglaucin (CAS 41451-81-4) is primarily of interest as a fungal metabolite encountered in research and development settings. In industry, it may serve as a chemical intermediate in organic synthesis; it can be investigated as a pigment or colorant for coatings, inks, and plastics; it is sometimes evaluated as a lead compound in pharmaceutical chemistry for exploration of bioactive properties; its conjugated structure also makes it a candidate for redox-active applications such as electrochemical sensors or other electronic/optical materials; and it may be considered in cosmetic or personal-care research as a colorant or functional additive, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.12
    methanol 190.19
    isopropanol 91.53
    water 0.02
    ethyl acetate 273.33
    n-propanol 207.59
    acetone 312.11
    n-butanol 119.62
    acetonitrile 103.81
    DMF 775.45
    toluene 86.02
    isobutanol 92.49
    1,4-dioxane 126.46
    methyl acetate 296.71
    THF 579.47
    2-butanone 430.39
    n-pentanol 66.63
    sec-butanol 120.92
    n-hexane 1.34
    ethylene glycol 13.87
    NMP 376.69
    cyclohexane 1.99
    DMSO 523.42
    n-butyl acetate 115.39
    n-octanol 16.59
    chloroform 340.54
    n-propyl acetate 110.72
    acetic acid 114.93
    dichloromethane 331.64
    cyclohexanone 281.23
    propylene glycol 53.18
    isopropyl acetate 138.42
    DMAc 839.62
    2-ethoxyethanol 132.34
    isopentanol 90.72
    n-heptane 0.89
    ethyl formate 64.48
    1,2-dichloroethane 319.6
    n-hexanol 66.73
    2-methoxyethanol 280.63
    isobutyl acetate 66.87
    tetrachloromethane 16.08
    n-pentyl acetate 52.08
    transcutol 345.52
    n-heptanol 25.29
    ethylbenzene 36.11
    MIBK 125.61
    2-propoxyethanol 166.0
    tert-butanol 118.39
    MTBE 118.93
    2-butoxyethanol 75.14
    propionic acid 117.55
    o-xylene 39.49
    formic acid 28.43
    diethyl ether 119.1
    m-xylene 41.62
    p-xylene 38.24
    chlorobenzene 101.74
    dimethyl carbonate 136.77
    n-octane 0.64
    formamide 99.44
    cyclopentanone 504.82
    2-pentanone 258.69
    anisole 113.25
    cyclopentyl methyl ether 157.23
    gamma-butyrolactone 375.18
    1-methoxy-2-propanol 216.69
    pyridine 250.86
    3-pentanone 212.06
    furfural 207.68
    n-dodecane 0.76
    diethylene glycol 91.04
    diisopropyl ether 23.0
    tert-amyl alcohol 113.55
    acetylacetone 242.62
    n-hexadecane 0.9
    acetophenone 111.67
    methyl propionate 322.21
    isopentyl acetate 107.67
    trichloroethylene 575.6
    n-nonanol 18.41
    cyclohexanol 74.65
    benzyl alcohol 88.87
    2-ethylhexanol 34.69
    isooctanol 22.91
    dipropyl ether 39.8
    1,2-dichlorobenzene 85.16
    ethyl lactate 57.96
    propylene carbonate 149.69
    n-methylformamide 212.13
    2-pentanol 68.1
    n-pentane 0.99
    1-propoxy-2-propanol 102.91
    1-methoxy-2-propyl acetate 147.9
    2-(2-methoxypropoxy) propanol 80.54
    mesitylene 18.47
    ε-caprolactone 209.32
    p-cymene 16.74
    epichlorohydrin 515.07
    1,1,1-trichloroethane 174.1
    2-aminoethanol 68.49
    morpholine-4-carbaldehyde 253.74
    sulfolane 408.5
    2,2,4-trimethylpentane 2.29
    2-methyltetrahydrofuran 252.33
    n-hexyl acetate 61.09
    isooctane 1.45
    2-(2-butoxyethoxy)ethanol 108.35
    sec-butyl acetate 85.46
    tert-butyl acetate 146.41
    decalin 2.94
    glycerin 61.41
    diglyme 208.56
    acrylic acid 86.79
    isopropyl myristate 24.21
    n-butyric acid 146.32
    acetyl acetate 102.77
    di(2-ethylhexyl) phthalate 28.5
    ethyl propionate 111.19
    nitromethane 294.58
    1,2-diethoxyethane 99.8
    benzonitrile 79.52
    trioctyl phosphate 19.16
    1-bromopropane 122.67
    gamma-valerolactone 398.59
    n-decanol 13.8
    triethyl phosphate 38.81
    4-methyl-2-pentanol 38.51
    propionitrile 130.62
    vinylene carbonate 111.23
    1,1,2-trichlorotrifluoroethane 255.45
    DMS 90.81
    cumene 21.06
    2-octanol 15.47
    2-hexanone 114.35
    octyl acetate 30.63
    limonene 23.06
    1,2-dimethoxyethane 209.41
    ethyl orthosilicate 35.49
    tributyl phosphate 25.31
    diacetone alcohol 182.63
    N,N-dimethylaniline 61.6
    acrylonitrile 174.83
    aniline 130.09
    1,3-propanediol 97.16
    bromobenzene 96.0
    dibromomethane 186.65
    1,1,2,2-tetrachloroethane 412.86
    2-methyl-cyclohexyl acetate 58.88
    tetrabutyl urea 35.43
    diisobutyl methanol 21.04
    2-phenylethanol 78.2
    styrene 50.17
    dioctyl adipate 44.62
    dimethyl sulfate 182.92
    ethyl butyrate 73.8
    methyl lactate 107.9
    butyl lactate 51.06
    diethyl carbonate 51.93
    propanediol butyl ether 58.08
    triethyl orthoformate 48.33
    p-tert-butyltoluene 16.67
    methyl 4-tert-butylbenzoate 68.97
    morpholine 276.03
    tert-butylamine 50.95
    n-dodecanol 10.22
    dimethoxymethane 368.87
    ethylene carbonate 91.18
    cyrene 88.11
    2-ethoxyethyl acetate 100.34
    2-ethylhexyl acetate 76.48
    1,2,4-trichlorobenzene 110.23
    4-methylpyridine 246.36
    dibutyl ether 26.27
    2,6-dimethyl-4-heptanol 21.04
    DEF 261.83
    dimethyl isosorbide 158.95
    tetrachloroethylene 176.96
    eugenol 72.98
    triacetin 69.01
    span 80 55.65
    1,4-butanediol 25.35
    1,1-dichloroethane 247.57
    2-methyl-1-pentanol 67.01
    methyl formate 121.48
    2-methyl-1-butanol 98.9
    n-decane 1.22
    butyronitrile 87.5
    3,7-dimethyl-1-octanol 25.09
    1-chlorooctane 10.94
    1-chlorotetradecane 4.34
    n-nonane 0.96
    undecane 0.93
    tert-butylcyclohexane 2.96
    cyclooctane 0.64
    cyclopentanol 88.58
    tetrahydropyran 203.71
    tert-amyl methyl ether 98.82
    2,5,8-trioxanonane 139.2
    1-hexene 16.46
    2-isopropoxyethanol 92.34
    2,2,2-trifluoroethanol 31.38
    methyl butyrate 132.28

    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