Torachrysone

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  • Identifiers

    CAS number
    22649-04-3

    Molecular formula
    C14H14O4

    SMILES
    CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.58%
    Phenolic 57.32%
    Woody 54.3%
    Spicy 40.89%
    Fruity 40.77%
    Powdery 40.63%
    Dry 37.06%
    Vanilla 35.76%
    Balsamic 35.73%
    Floral 35.21%

     

    Flavor
    Bitter 66.83%
    Odorless 26.64%
    Phenolic 22.84%
    Mild 22.51%
    Parsley 22.31%
    Bland 21.76%
    Eugenol 21.69%
    Flat 21.24%
    Thymol 20.76%
    Cedarleaf 20.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.83 (weak base)

    Molecular weight
    246.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    456°C

    Melting point expt.

    • 214 - 215 °C

    Flash point

    • 205.04 ˚C est.

  • Synonyms

    • Torachrysone
    • 22649-04-3
    • Nakahalene
    • 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
    • 64TGU59DZ3
    • N-Phenyl-N-nitrosourea
    • Phenyl-nitroso-harnstoff
    • N-Nitroso-N-phenyl-Urea
    • 1-Nitroso-1-phenyl-Urea
    • 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one
    • 1-(1,8-Dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)ethanone
    • 1-(6-Methoxy-3-methyl-1,8-bis(oxidanyl)naphthalen-2-yl)ethanone
    • Ethanone, 1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)-
    • 2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene
    • RefChem:190440
    • Phenyl-nitroso-harnstoff [German]
    • 2-Acetyl-3-methyl-6-methoxynaphthalene-1,8-diol
    • Nakahalene;Trachrysone
    • 1-(1,8-Dihydroxy-6-methoxy-3-methyl-2-naphthyl)ethanone
    • UNII-64TGU59DZ3
    • SCHEMBL932035
    • orb1684176
    • CHEMBL2204398
    • SCHEMBL29380720
    • CHEBI:81265
    • DTXSID301317855
    • HY-N1142
    • MFCD20274771
    • Urea, 1-nitroso-1-phenyl- (8CI)
    • AKOS032948833
    • FS-9617
    • DA-68267
    • CS-0016430
    • C17672
    • F21499
    • 1,8-dihydroxy-2-acetyl-3-methyl-6-methoxynaphthalene
    • 1,8-dihydroxy-6-methoxy-2-acetyl-3-methylnaphthalene
    • 2-acetyl-1,8-dihydroxy-3-methyl-6-methoxynaphthalene
    • Q27155206
    • B0005-190283
    • 22649-04-3

  • Applications

    Torachrysone (CAS 22649-04-3) is used as a pigment precursor and colorant in coatings and inks, and is commonly evaluated for use as a colorant in cosmetics and personal care. It can serve as an intermediate in organic synthesis for pharmaceutical and agrochemical research, and may function as a pigment additive in plastics and polymer-based materials. In industrial manufacturing, it appears as a specialty chemical intermediate for pigment systems and related formulations, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.1
    methanol 27.92
    isopropanol 15.81
    water 0.03
    ethyl acetate 56.15
    n-propanol 20.63
    acetone 68.21
    n-butanol 19.81
    acetonitrile 42.2
    DMF 339.79
    toluene 6.09
    isobutanol 15.28
    1,4-dioxane 178.19
    methyl acetate 63.72
    THF 417.8
    2-butanone 42.74
    n-pentanol 18.47
    sec-butanol 12.51
    n-hexane 0.56
    ethylene glycol 21.11
    NMP 246.34
    cyclohexane 0.49
    DMSO 356.25
    n-butyl acetate 36.47
    n-octanol 13.37
    chloroform 27.78
    n-propyl acetate 47.09
    acetic acid 63.39
    dichloromethane 40.56
    cyclohexanone 88.2
    propylene glycol 22.48
    isopropyl acetate 34.66
    DMAc 152.61
    2-ethoxyethanol 72.6
    isopentanol 19.17
    n-heptane 0.83
    ethyl formate 42.07
    1,2-dichloroethane 38.09
    n-hexanol 19.85
    2-methoxyethanol 185.69
    isobutyl acetate 29.36
    tetrachloromethane 2.67
    n-pentyl acetate 27.14
    transcutol 193.9
    n-heptanol 12.95
    ethylbenzene 4.45
    MIBK 35.45
    2-propoxyethanol 120.47
    tert-butanol 30.51
    MTBE 18.34
    2-butoxyethanol 44.52
    propionic acid 37.82
    o-xylene 4.91
    formic acid 37.28
    diethyl ether 22.59
    m-xylene 7.54
    p-xylene 6.56
    chlorobenzene 12.8
    dimethyl carbonate 73.8
    n-octane 0.41
    formamide 80.95
    cyclopentanone 193.76
    2-pentanone 46.58
    anisole 26.39
    cyclopentyl methyl ether 87.96
    gamma-butyrolactone 317.98
    1-methoxy-2-propanol 135.76
    pyridine 45.08
    3-pentanone 30.2
    furfural 159.78
    n-dodecane 0.64
    diethylene glycol 129.28
    diisopropyl ether 6.74
    tert-amyl alcohol 19.68
    acetylacetone 105.31
    n-hexadecane 0.79
    acetophenone 31.43
    methyl propionate 72.98
    isopentyl acetate 33.08
    trichloroethylene 72.5
    n-nonanol 14.13
    cyclohexanol 22.61
    benzyl alcohol 25.4
    2-ethylhexanol 14.81
    isooctanol 11.8
    dipropyl ether 21.55
    1,2-dichlorobenzene 14.99
    ethyl lactate 36.8
    propylene carbonate 114.41
    n-methylformamide 118.76
    2-pentanol 12.51
    n-pentane 0.35
    1-propoxy-2-propanol 68.87
    1-methoxy-2-propyl acetate 79.74
    2-(2-methoxypropoxy) propanol 55.21
    mesitylene 4.77
    ε-caprolactone 96.39
    p-cymene 6.12
    epichlorohydrin 284.15
    1,1,1-trichloroethane 20.3
    2-aminoethanol 30.3
    morpholine-4-carbaldehyde 269.19
    sulfolane 360.81
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 119.56
    n-hexyl acetate 38.72
    isooctane 0.56
    2-(2-butoxyethoxy)ethanol 78.36
    sec-butyl acetate 26.02
    tert-butyl acetate 48.41
    decalin 1.04
    glycerin 70.09
    diglyme 150.61
    acrylic acid 48.83
    isopropyl myristate 15.99
    n-butyric acid 45.23
    acetyl acetate 42.86
    di(2-ethylhexyl) phthalate 18.13
    ethyl propionate 45.76
    nitromethane 246.03
    1,2-diethoxyethane 50.0
    benzonitrile 27.71
    trioctyl phosphate 14.94
    1-bromopropane 10.07
    gamma-valerolactone 292.24
    n-decanol 10.84
    triethyl phosphate 23.19
    4-methyl-2-pentanol 10.83
    propionitrile 28.74
    vinylene carbonate 89.25
    1,1,2-trichlorotrifluoroethane 125.05
    DMS 57.92
    cumene 4.38
    2-octanol 9.68
    2-hexanone 37.09
    octyl acetate 21.24
    limonene 8.84
    1,2-dimethoxyethane 157.56
    ethyl orthosilicate 21.05
    tributyl phosphate 18.1
    diacetone alcohol 77.02
    N,N-dimethylaniline 19.82
    acrylonitrile 50.2
    aniline 19.63
    1,3-propanediol 52.59
    bromobenzene 10.37
    dibromomethane 17.63
    1,1,2,2-tetrachloroethane 48.33
    2-methyl-cyclohexyl acetate 30.22
    tetrabutyl urea 24.69
    diisobutyl methanol 11.57
    2-phenylethanol 28.7
    styrene 4.6
    dioctyl adipate 27.73
    dimethyl sulfate 136.7
    ethyl butyrate 32.41
    methyl lactate 68.89
    butyl lactate 30.07
    diethyl carbonate 25.51
    propanediol butyl ether 44.95
    triethyl orthoformate 28.9
    p-tert-butyltoluene 6.57
    methyl 4-tert-butylbenzoate 40.22
    morpholine 204.36
    tert-butylamine 10.92
    n-dodecanol 7.84
    dimethoxymethane 242.04
    ethylene carbonate 74.12
    cyrene 76.75
    2-ethoxyethyl acetate 56.47
    2-ethylhexyl acetate 24.64
    1,2,4-trichlorobenzene 21.73
    4-methylpyridine 45.05
    dibutyl ether 16.36
    2,6-dimethyl-4-heptanol 11.57
    DEF 75.36
    dimethyl isosorbide 134.89
    tetrachloroethylene 23.48
    eugenol 45.05
    triacetin 53.02
    span 80 41.84
    1,4-butanediol 18.81
    1,1-dichloroethane 20.01
    2-methyl-1-pentanol 16.74
    methyl formate 121.25
    2-methyl-1-butanol 15.97
    n-decane 1.03
    butyronitrile 27.24
    3,7-dimethyl-1-octanol 13.78
    1-chlorooctane 6.66
    1-chlorotetradecane 2.91
    n-nonane 0.79
    undecane 0.82
    tert-butylcyclohexane 1.23
    cyclooctane 0.27
    cyclopentanol 43.16
    tetrahydropyran 71.11
    tert-amyl methyl ether 18.86
    2,5,8-trioxanonane 103.24
    1-hexene 3.31
    2-isopropoxyethanol 48.42
    2,2,2-trifluoroethanol 35.61
    methyl butyrate 53.67

    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