Scutigeral

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  • Identifiers

    CAS number
    65195-50-8

    Molecular formula
    C23H32O4

    SMILES
    CC1=C(C(=C(C(=C1C=O)O)O)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 39.18%
    Woody 37.59%
    Spicy 36.85%
    Floral 32.31%
    Balsamic 28.22%
    Odorless 26.51%
    Dry 25.31%
    Citrus 24.66%
    Sweet 24.4%
    Fresh 24.15%

     

    Flavor
    Woody 39.39%
    Bitter 37.31%
    Herbal 34.38%
    Spicy 33.01%
    Balsam 27.26%
    Floral 26.87%
    Wood 25.82%
    Flower 23.74%
    Spice 23.66%
    Mild 23.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    9.97 (weak base)

    Molecular weight
    372.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    641°C

    Melting point expt.

    • 81 °C

    Flash point

    • 214.25 ˚C est.

  • Synonyms

    • SCUTIGERAL
    • 65195-50-8
    • DTXSID901318437
    • 2,3,4-trihydroxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
    • 2,3,4-trihydroxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
    • 2,3,4-trihydroxy-6-methyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)benzaldehyde
    • 2,3,4-trihydroxy-6-methyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzaldehyde
    • RefChem:931514
    • DTXCID901748248
    • 1-Formyl-3-hydroxyneogrifolin
    • 1-formyl-3-hydroxy-neogrifolin
    • SCHEMBL4908476
    • CHEBI:174956
    • 2,3,4-Trihydroxy-6-methyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzaldehyde
    • 65195-50-8

  • Applications

    Scutigeral is primarily used as an intermediate in organic synthesis and is evaluated for fragrance-related applications, potentially serving as an odorant or fragrance ingredient. In perfumery and cosmetics, it is commonly explored as a scent component or fragrance fixative; in household products, it may be used to impart or stabilize aroma. In industrial manufacturing, it can serve as a building block for downstream products; in coatings and inks, it may be used as an odorant additive. In the field of polymers/plastics, it may be used as a fragrance additive for formulations or as an intermediate for further applications. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.63
    methanol 35.02
    isopropanol 17.84
    water 0.01
    ethyl acetate 51.31
    n-propanol 41.09
    acetone 44.25
    n-butanol 32.99
    acetonitrile 5.96
    DMF 51.56
    toluene 17.39
    isobutanol 17.88
    1,4-dioxane 78.01
    methyl acetate 35.09
    THF 303.82
    2-butanone 82.45
    n-pentanol 28.37
    sec-butanol 32.71
    n-hexane 1.29
    ethylene glycol 0.92
    NMP 63.93
    cyclohexane 1.75
    DMSO 70.1
    n-butyl acetate 25.36
    n-octanol 10.58
    chloroform 40.16
    n-propyl acetate 25.92
    acetic acid 25.09
    dichloromethane 35.96
    cyclohexanone 76.53
    propylene glycol 5.1
    isopropyl acetate 31.87
    DMAc 124.94
    2-ethoxyethanol 54.51
    isopentanol 23.55
    n-heptane 1.06
    ethyl formate 12.33
    1,2-dichloroethane 28.71
    n-hexanol 23.2
    2-methoxyethanol 69.2
    isobutyl acetate 17.65
    tetrachloromethane 5.09
    n-pentyl acetate 29.43
    transcutol 174.39
    n-heptanol 16.72
    ethylbenzene 10.29
    MIBK 28.19
    2-propoxyethanol 60.78
    tert-butanol 30.21
    MTBE 43.69
    2-butoxyethanol 47.96
    propionic acid 18.42
    o-xylene 10.92
    formic acid 5.53
    diethyl ether 41.91
    m-xylene 11.07
    p-xylene 10.8
    chlorobenzene 13.74
    dimethyl carbonate 13.93
    n-octane 0.63
    formamide 13.57
    cyclopentanone 103.36
    2-pentanone 53.45
    anisole 31.08
    cyclopentyl methyl ether 55.86
    gamma-butyrolactone 74.14
    1-methoxy-2-propanol 58.54
    pyridine 52.0
    3-pentanone 41.76
    furfural 39.83
    n-dodecane 0.41
    diethylene glycol 17.45
    diisopropyl ether 8.47
    tert-amyl alcohol 38.22
    acetylacetone 51.02
    n-hexadecane 0.47
    acetophenone 28.48
    methyl propionate 39.06
    isopentyl acetate 29.96
    trichloroethylene 60.95
    n-nonanol 12.51
    cyclohexanol 22.54
    benzyl alcohol 22.3
    2-ethylhexanol 13.04
    isooctanol 14.59
    dipropyl ether 18.9
    1,2-dichlorobenzene 13.82
    ethyl lactate 12.95
    propylene carbonate 25.25
    n-methylformamide 16.81
    2-pentanol 19.32
    n-pentane 0.96
    1-propoxy-2-propanol 43.61
    1-methoxy-2-propyl acetate 46.73
    2-(2-methoxypropoxy) propanol 39.37
    mesitylene 6.14
    ε-caprolactone 65.33
    p-cymene 6.25
    epichlorohydrin 116.79
    1,1,1-trichloroethane 23.4
    2-aminoethanol 6.91
    morpholine-4-carbaldehyde 64.01
    sulfolane 84.78
    2,2,4-trimethylpentane 1.31
    2-methyltetrahydrofuran 109.24
    n-hexyl acetate 31.08
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 58.2
    sec-butyl acetate 24.75
    tert-butyl acetate 46.48
    decalin 1.46
    glycerin 8.34
    diglyme 104.72
    acrylic acid 12.22
    isopropyl myristate 10.95
    n-butyric acid 33.71
    acetyl acetate 20.39
    di(2-ethylhexyl) phthalate 11.95
    ethyl propionate 26.31
    nitromethane 41.68
    1,2-diethoxyethane 48.44
    benzonitrile 11.49
    trioctyl phosphate 8.61
    1-bromopropane 16.96
    gamma-valerolactone 131.47
    n-decanol 8.05
    triethyl phosphate 13.11
    4-methyl-2-pentanol 11.6
    propionitrile 11.75
    vinylene carbonate 17.8
    1,1,2-trichlorotrifluoroethane 46.3
    DMS 19.81
    cumene 6.62
    2-octanol 10.21
    2-hexanone 35.14
    octyl acetate 14.4
    limonene 9.46
    1,2-dimethoxyethane 85.59
    ethyl orthosilicate 14.85
    tributyl phosphate 9.09
    diacetone alcohol 57.3
    N,N-dimethylaniline 19.76
    acrylonitrile 11.34
    aniline 21.38
    1,3-propanediol 19.16
    bromobenzene 12.53
    dibromomethane 21.36
    1,1,2,2-tetrachloroethane 50.7
    2-methyl-cyclohexyl acetate 24.25
    tetrabutyl urea 13.33
    diisobutyl methanol 8.58
    2-phenylethanol 25.48
    styrene 10.14
    dioctyl adipate 18.68
    dimethyl sulfate 23.48
    ethyl butyrate 21.7
    methyl lactate 15.27
    butyl lactate 23.05
    diethyl carbonate 12.79
    propanediol butyl ether 25.81
    triethyl orthoformate 21.06
    p-tert-butyltoluene 6.77
    methyl 4-tert-butylbenzoate 32.07
    morpholine 126.06
    tert-butylamine 13.85
    n-dodecanol 5.16
    dimethoxymethane 70.25
    ethylene carbonate 15.9
    cyrene 40.92
    2-ethoxyethyl acetate 48.7
    2-ethylhexyl acetate 22.5
    1,2,4-trichlorobenzene 19.51
    4-methylpyridine 38.78
    dibutyl ether 13.48
    2,6-dimethyl-4-heptanol 8.58
    DEF 48.08
    dimethyl isosorbide 77.84
    tetrachloroethylene 26.72
    eugenol 32.86
    triacetin 31.28
    span 80 32.44
    1,4-butanediol 5.83
    1,1-dichloroethane 20.58
    2-methyl-1-pentanol 27.69
    methyl formate 11.37
    2-methyl-1-butanol 27.16
    n-decane 0.95
    butyronitrile 13.0
    3,7-dimethyl-1-octanol 11.19
    1-chlorooctane 5.72
    1-chlorotetradecane 1.72
    n-nonane 0.77
    undecane 0.58
    tert-butylcyclohexane 1.6
    cyclooctane 0.68
    cyclopentanol 21.43
    tetrahydropyran 94.57
    tert-amyl methyl ether 36.56
    2,5,8-trioxanonane 66.95
    1-hexene 6.74
    2-isopropoxyethanol 39.81
    2,2,2-trifluoroethanol 5.01
    methyl butyrate 31.05

    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