Sapriparaquinone

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  • Identifiers

    CAS number
    119139-54-7

    Molecular formula
    C20H26O3

    SMILES
    CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C(C)C)O)CCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 43.53%
    Spicy 40.12%
    Woody 39.7%
    Dry 34.04%
    Phenolic 33.57%
    Sweet 29.66%
    Mint 28.61%
    Fruity 28.55%
    Musk 25.0%
    Balsamic 23.62%

     

    Flavor
    Bitter 63.78%
    Herbal 32.82%
    Woody 22.09%
    Lovage 20.73%
    Cedarleaf 20.31%
    Parsley 19.66%
    Outdoor 18.94%
    Basil 18.89%
    Leaves 18.81%
    Red fruit 18.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.25 (neutral)

    Molecular weight
    314.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    462°C

    Flash point

    • 183.8 ˚C est.

  • Synonyms

    • Sapriparaquinone
    • 119139-54-7
    • 3-Hydroxy-6-methyl-2-(1-methyl)-5-(4-methylpentene-3-yl)-1,4-naphthoquinone
    • 4-hydroxy-7-methyl-8-(4-methylpentyl)-3-propan-2-ylnaphthalene-1,2-dione
    • 1,4-Naphthalenedione, 3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methylpentyl)-
    • orb1695306
    • DTXSID20922876
    • AKOS040753925
    • 3-hydroxy-2-isopropyl-6-methyl-5-(4-methylpentyl)naphthalene-1,4-dione
    • 4-Hydroxy-7-methyl-8-(4-methylpentyl)-3-(propan-2-yl)naphthalene-1,2-dione
    • 119139-54-7

  • Applications

    Sapriparaquinone (CAS 119139-54-7) may be viewed as an intermediate in organic synthesis and could serve as a precursor to more complex organic compounds. In the polymer and coating industries, it can be evaluated as a stabilizer or antioxidant to improve color durability and formulation stability. Its redox-active character gives it potential as an electron carrier or redox additive for electronic and energy-storage applications. In plastics and materials development, Sapriparaquinone could be assessed as a precursor for pigment or quinone-based polymer architectures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.34
    methanol 150.48
    isopropanol 174.47
    water 0.03
    ethyl acetate 305.22
    n-propanol 240.23
    acetone 374.63
    n-butanol 281.11
    acetonitrile 106.94
    DMF 917.79
    toluene 316.72
    isobutanol 206.12
    1,4-dioxane 399.77
    methyl acetate 266.35
    THF 797.57
    2-butanone 441.47
    n-pentanol 158.22
    sec-butanol 197.72
    n-hexane 14.58
    ethylene glycol 20.85
    NMP 851.46
    cyclohexane 26.98
    DMSO 271.52
    n-butyl acetate 235.8
    n-octanol 39.51
    chloroform 621.37
    n-propyl acetate 154.18
    acetic acid 148.59
    dichloromethane 609.78
    cyclohexanone 695.82
    propylene glycol 50.67
    isopropyl acetate 254.39
    DMAc 778.58
    2-ethoxyethanol 194.76
    isopentanol 279.43
    n-heptane 5.2
    ethyl formate 122.95
    1,2-dichloroethane 641.47
    n-hexanol 186.99
    2-methoxyethanol 378.64
    isobutyl acetate 122.88
    tetrachloromethane 68.52
    n-pentyl acetate 152.88
    transcutol 476.81
    n-heptanol 70.0
    ethylbenzene 99.07
    MIBK 281.97
    2-propoxyethanol 370.39
    tert-butanol 201.55
    MTBE 264.89
    2-butoxyethanol 173.87
    propionic acid 142.26
    o-xylene 143.28
    formic acid 38.58
    diethyl ether 274.19
    m-xylene 182.38
    p-xylene 119.64
    chlorobenzene 356.31
    dimethyl carbonate 156.8
    n-octane 3.22
    formamide 82.9
    cyclopentanone 745.21
    2-pentanone 430.11
    anisole 186.37
    cyclopentyl methyl ether 426.92
    gamma-butyrolactone 602.6
    1-methoxy-2-propanol 350.57
    pyridine 571.55
    3-pentanone 315.19
    furfural 398.25
    n-dodecane 2.37
    diethylene glycol 192.76
    diisopropyl ether 87.77
    tert-amyl alcohol 212.5
    acetylacetone 376.28
    n-hexadecane 2.93
    acetophenone 190.14
    methyl propionate 320.21
    isopentyl acetate 257.95
    trichloroethylene 1125.83
    n-nonanol 41.75
    cyclohexanol 262.25
    benzyl alcohol 177.54
    2-ethylhexanol 94.59
    isooctanol 64.84
    dipropyl ether 81.18
    1,2-dichlorobenzene 271.54
    ethyl lactate 76.91
    propylene carbonate 297.13
    n-methylformamide 258.74
    2-pentanol 196.6
    n-pentane 17.4
    1-propoxy-2-propanol 229.21
    1-methoxy-2-propyl acetate 306.47
    2-(2-methoxypropoxy) propanol 140.59
    mesitylene 85.01
    ε-caprolactone 534.72
    p-cymene 48.44
    epichlorohydrin 922.69
    1,1,1-trichloroethane 441.8
    2-aminoethanol 79.23
    morpholine-4-carbaldehyde 689.71
    sulfolane 613.25
    2,2,4-trimethylpentane 12.86
    2-methyltetrahydrofuran 562.7
    n-hexyl acetate 159.5
    isooctane 10.18
    2-(2-butoxyethoxy)ethanol 195.87
    sec-butyl acetate 141.43
    tert-butyl acetate 282.75
    decalin 17.13
    glycerin 66.34
    diglyme 370.97
    acrylic acid 117.1
    isopropyl myristate 54.01
    n-butyric acid 261.98
    acetyl acetate 158.3
    di(2-ethylhexyl) phthalate 67.54
    ethyl propionate 149.87
    nitromethane 277.53
    1,2-diethoxyethane 220.62
    benzonitrile 185.58
    trioctyl phosphate 43.92
    1-bromopropane 318.69
    gamma-valerolactone 896.52
    n-decanol 30.03
    triethyl phosphate 66.26
    4-methyl-2-pentanol 124.96
    propionitrile 167.69
    vinylene carbonate 249.08
    1,1,2-trichlorotrifluoroethane 349.86
    DMS 177.95
    cumene 59.06
    2-octanol 47.98
    2-hexanone 204.12
    octyl acetate 69.6
    limonene 74.23
    1,2-dimethoxyethane 327.19
    ethyl orthosilicate 67.0
    tributyl phosphate 54.65
    diacetone alcohol 305.28
    N,N-dimethylaniline 120.54
    acrylonitrile 214.24
    aniline 335.75
    1,3-propanediol 175.54
    bromobenzene 369.19
    dibromomethane 408.69
    1,1,2,2-tetrachloroethane 798.77
    2-methyl-cyclohexyl acetate 125.69
    tetrabutyl urea 82.95
    diisobutyl methanol 57.89
    2-phenylethanol 194.36
    styrene 126.13
    dioctyl adipate 78.18
    dimethyl sulfate 221.07
    ethyl butyrate 118.19
    methyl lactate 132.15
    butyl lactate 115.12
    diethyl carbonate 75.95
    propanediol butyl ether 113.92
    triethyl orthoformate 89.12
    p-tert-butyltoluene 51.14
    methyl 4-tert-butylbenzoate 138.66
    morpholine 670.59
    tert-butylamine 121.99
    n-dodecanol 21.91
    dimethoxymethane 492.07
    ethylene carbonate 225.07
    cyrene 173.37
    2-ethoxyethyl acetate 239.61
    2-ethylhexyl acetate 195.39
    1,2,4-trichlorobenzene 315.74
    4-methylpyridine 639.04
    dibutyl ether 58.73
    2,6-dimethyl-4-heptanol 57.89
    DEF 530.5
    dimethyl isosorbide 298.04
    tetrachloroethylene 423.32
    eugenol 144.98
    triacetin 118.53
    span 80 110.24
    1,4-butanediol 57.15
    1,1-dichloroethane 545.52
    2-methyl-1-pentanol 185.23
    methyl formate 160.21
    2-methyl-1-butanol 275.38
    n-decane 3.97
    butyronitrile 192.67
    3,7-dimethyl-1-octanol 63.24
    1-chlorooctane 31.26
    1-chlorotetradecane 12.39
    n-nonane 3.34
    undecane 3.01
    tert-butylcyclohexane 14.85
    cyclooctane 8.63
    cyclopentanol 237.32
    tetrahydropyran 526.88
    tert-amyl methyl ether 221.06
    2,5,8-trioxanonane 217.5
    1-hexene 75.14
    2-isopropoxyethanol 161.15
    2,2,2-trifluoroethanol 58.66
    methyl butyrate 199.36

    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