Menahydroquinone-4

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  • Identifiers

    CAS number
    39776-45-9

    Molecular formula
    C31H42O2

    SMILES
    CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 52.26%
    Fruity 46.5%
    Balsamic 40.19%
    Woody 35.17%
    Spicy 30.53%
    Waxy 28.11%
    Sweet 25.99%
    Rose 25.46%
    Powdery 23.04%
    Fresh 23.04%

     

    Flavor
    Woody 37.48%
    Balsam 35.52%
    Wood 33.17%
    Herbal 27.24%
    Spicy 26.27%
    Balsamic 25.61%
    Spice 25.57%
    Mild 23.32%
    Diterpene 23.04%
    Floral 22.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.3

    pKa est.
    9.53 (weak base)

    Molecular weight
    446.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    652°C

    Flash point

    • 240.62 ˚C est.

  • Synonyms

    • Menahydroquinone-4
    • Mkh-4 cpd
    • 39776-45-9
    • RefChem:925472
    • menaquinol-4
    • 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol
    • A1EMC
    • menaquinol(4)
    • (E,E,E)-2-Methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-naphthalenediol
    • MKH2-4
    • SCHEMBL14031835
    • SCHEMBL31079439
    • CHEBI:193091
    • 1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
    • 39776-45-9

  • Applications

    Menahydroquinone-4 is a useful organic synthesis intermediate and a building block for complex quinone derivatives. In industrial manufacturing, it can function as an antioxidant or stabilizer in polymer systems and coating formulations. It is a precursor for dye and pigment chemistries used in inks, paints, and plastics. It may be employed as a pharmaceutical intermediate in the synthesis of quinone-related drug candidates. Its role is dependent on local regulations and formulation conditions, and appropriate regulatory compliance should be observed.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.4
    methanol 1.35
    isopropanol 0.7
    water 0.0
    ethyl acetate 6.04
    n-propanol 1.91
    acetone 4.12
    n-butanol 2.53
    acetonitrile 0.59
    DMF 4.82
    toluene 6.54
    isobutanol 1.31
    1,4-dioxane 11.44
    methyl acetate 4.08
    THF 46.35
    2-butanone 8.67
    n-pentanol 3.59
    sec-butanol 1.94
    n-hexane 1.27
    ethylene glycol 0.03
    NMP 10.14
    cyclohexane 0.91
    DMSO 4.38
    n-butyl acetate 9.85
    n-octanol 2.52
    chloroform 32.12
    n-propyl acetate 8.34
    acetic acid 2.13
    dichloromethane 28.22
    cyclohexanone 14.43
    propylene glycol 0.13
    isopropyl acetate 5.42
    DMAc 19.34
    2-ethoxyethanol 5.13
    isopentanol 2.67
    n-heptane 1.0
    ethyl formate 2.27
    1,2-dichloroethane 12.6
    n-hexanol 3.13
    2-methoxyethanol 2.81
    isobutyl acetate 7.25
    tetrachloromethane 4.03
    n-pentyl acetate 13.95
    transcutol 34.53
    n-heptanol 3.39
    ethylbenzene 5.88
    MIBK 5.82
    2-propoxyethanol 7.1
    tert-butanol 1.49
    MTBE 9.27
    2-butoxyethanol 9.42
    propionic acid 1.7
    o-xylene 4.01
    formic acid 0.34
    diethyl ether 7.91
    m-xylene 3.87
    p-xylene 6.14
    chlorobenzene 7.26
    dimethyl carbonate 2.08
    n-octane 0.47
    formamide 0.7
    cyclopentanone 14.57
    2-pentanone 7.23
    anisole 12.99
    cyclopentyl methyl ether 10.38
    gamma-butyrolactone 11.59
    1-methoxy-2-propanol 2.94
    pyridine 12.5
    3-pentanone 7.67
    furfural 8.99
    n-dodecane 0.23
    diethylene glycol 1.05
    diisopropyl ether 2.31
    tert-amyl alcohol 3.74
    acetylacetone 7.49
    n-hexadecane 0.28
    acetophenone 9.67
    methyl propionate 4.83
    isopentyl acetate 12.43
    trichloroethylene 29.42
    n-nonanol 3.46
    cyclohexanol 2.23
    benzyl alcohol 3.74
    2-ethylhexanol 3.9
    isooctanol 3.98
    dipropyl ether 9.5
    1,2-dichlorobenzene 7.82
    ethyl lactate 2.22
    propylene carbonate 6.17
    n-methylformamide 1.24
    2-pentanol 1.58
    n-pentane 0.56
    1-propoxy-2-propanol 6.56
    1-methoxy-2-propyl acetate 11.64
    2-(2-methoxypropoxy) propanol 13.08
    mesitylene 2.3
    ε-caprolactone 15.28
    p-cymene 3.45
    epichlorohydrin 23.9
    1,1,1-trichloroethane 11.47
    2-aminoethanol 0.2
    morpholine-4-carbaldehyde 10.81
    sulfolane 12.75
    2,2,4-trimethylpentane 0.88
    2-methyltetrahydrofuran 19.67
    n-hexyl acetate 12.53
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 14.82
    sec-butyl acetate 8.65
    tert-butyl acetate 9.88
    decalin 1.18
    glycerin 0.24
    diglyme 36.5
    acrylic acid 1.13
    isopropyl myristate 5.1
    n-butyric acid 4.32
    acetyl acetate 3.68
    di(2-ethylhexyl) phthalate 5.1
    ethyl propionate 7.61
    nitromethane 3.85
    1,2-diethoxyethane 20.19
    benzonitrile 2.62
    trioctyl phosphate 2.96
    1-bromopropane 9.69
    gamma-valerolactone 22.35
    n-decanol 2.15
    triethyl phosphate 6.07
    4-methyl-2-pentanol 1.56
    propionitrile 1.26
    vinylene carbonate 5.25
    1,1,2-trichlorotrifluoroethane 9.14
    DMS 5.36
    cumene 4.28
    2-octanol 2.54
    2-hexanone 11.03
    octyl acetate 5.92
    limonene 4.32
    1,2-dimethoxyethane 20.59
    ethyl orthosilicate 8.14
    tributyl phosphate 3.63
    diacetone alcohol 6.15
    N,N-dimethylaniline 9.65
    acrylonitrile 1.06
    aniline 3.3
    1,3-propanediol 0.69
    bromobenzene 9.74
    dibromomethane 15.69
    1,1,2,2-tetrachloroethane 24.99
    2-methyl-cyclohexyl acetate 12.32
    tetrabutyl urea 5.63
    diisobutyl methanol 2.68
    2-phenylethanol 5.33
    styrene 5.19
    dioctyl adipate 9.26
    dimethyl sulfate 4.0
    ethyl butyrate 10.32
    methyl lactate 1.2
    butyl lactate 6.42
    diethyl carbonate 5.56
    propanediol butyl ether 4.12
    triethyl orthoformate 11.94
    p-tert-butyltoluene 3.48
    methyl 4-tert-butylbenzoate 13.72
    morpholine 11.87
    tert-butylamine 1.07
    n-dodecanol 1.42
    dimethoxymethane 6.79
    ethylene carbonate 4.44
    cyrene 10.1
    2-ethoxyethyl acetate 19.03
    2-ethylhexyl acetate 12.02
    1,2,4-trichlorobenzene 10.58
    4-methylpyridine 10.48
    dibutyl ether 8.44
    2,6-dimethyl-4-heptanol 2.68
    DEF 7.8
    dimethyl isosorbide 27.93
    tetrachloroethylene 13.27
    eugenol 10.97
    triacetin 11.31
    span 80 9.28
    1,4-butanediol 0.36
    1,1-dichloroethane 7.74
    2-methyl-1-pentanol 6.08
    methyl formate 1.15
    2-methyl-1-butanol 3.12
    n-decane 0.61
    butyronitrile 1.87
    3,7-dimethyl-1-octanol 3.4
    1-chlorooctane 2.98
    1-chlorotetradecane 0.92
    n-nonane 0.5
    undecane 0.35
    tert-butylcyclohexane 1.37
    cyclooctane 0.44
    cyclopentanol 1.66
    tetrahydropyran 15.81
    tert-amyl methyl ether 10.64
    2,5,8-trioxanonane 22.65
    1-hexene 4.72
    2-isopropoxyethanol 5.44
    2,2,2-trifluoroethanol 0.73
    methyl butyrate 9.39

    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