(2,3-Epoxyphytyl)menaquinone

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  • Identifiers

    CAS number
    25486-55-9

    Molecular formula
    C31H46O3

    SMILES
    CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 40.46%
    Waxy 40.15%
    Floral 36.93%
    Odorless 32.06%
    Balsamic 30.78%
    Fruity 29.39%
    Oily 27.68%
    Fatty 27.1%
    Fresh 26.84%
    Jasmin 25.43%

     

    Flavor
    Herbal 40.34%
    Woody 33.59%
    Bitter 25.61%
    Spice 24.42%
    Wood 21.62%
    Cedarleaf 20.19%
    Bland 19.88%
    Warm 19.81%
    Celery 19.73%
    Lovage 19.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.1

    pKa est.
    2.54 (strong acid)

    Molecular weight
    466.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    557°C

    Flash point

    • 168.43 ˚C est.

  • Synonyms

    • Vitamin K1 2,3-epoxide
    • (2,3-Epoxyphytyl)menaquinone
    • Phylloquinone oxide
    • 25486-55-9
    • Vitamin K1 oxide
    • Phylloquinone epoxide
    • 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
    • trans-Epoxyphytomenadione
    • Phylloquinone 2,3-epoxide
    • Phylloquinone-2,3-epoxide
    • Vitamin K1 epoxide
    • Vitamin K1, epoxide
    • 1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-naphth[2,3-b]oxirene-2,7-dione
    • 1a-methyl-7a-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
    • Vitamin K1 2,3-Epoxide (Mixture of Diastereomers)
    • 2,3-Epoxide Vitamin K1 (Mixture of Diastereomers)
    • Vitamin K1 Impurity 126
    • CHEMBL299632
    • SCHEMBL1228274
    • SCHEMBL29469941
    • DTXSID80904572
    • 1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-
    • 1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-naphth[2,3-b]oxirene-2,7-dione
    • MFCD00870307
    • HY-113164
    • CS-0062324
    • C05849
    • Vitamin K1 2,3-epoxide, >=98.0% (HPLC)
    • (E)-1a-methyl-7a-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
    • 1a-Methyl-7a-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
    • 1a-Methyl-7a-[3,7,11,15-tetramethyl-2-hexadecenyl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione #
    • Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-
    • 25486-55-9

  • Applications

    (2,3-Epoxyphytyl)menaquinone, CAS 25486-55-9, can serve as a synthetic intermediate for accessing menaquinone derivatives in pharmaceutical/nutraceutical R&D; its lipophilic quinone-epoxide structure may be explored as an antioxidant or stabilizing additive in polymeric materials and coatings; it can function as a reactive epoxy component or crosslinking intermediate in epoxy resin formulations for coatings and adhesives; it may be evaluated for use in cosmetics/personal care as a lipophilic vitamin K2-like ingredient; overall, its applications are mainly in development, formulation, and materials areas, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.1
    methanol 13.28
    isopropanol 23.61
    water 0.02
    ethyl acetate 103.09
    n-propanol 40.17
    acetone 58.95
    n-butanol 45.72
    acetonitrile 19.43
    DMF 51.93
    toluene 109.99
    isobutanol 36.26
    1,4-dioxane 101.34
    methyl acetate 73.62
    THF 224.24
    2-butanone 125.01
    n-pentanol 49.38
    sec-butanol 47.36
    n-hexane 7.15
    ethylene glycol 1.28
    NMP 136.92
    cyclohexane 13.75
    DMSO 31.23
    n-butyl acetate 97.63
    n-octanol 23.46
    chloroform 315.13
    n-propyl acetate 95.08
    acetic acid 43.02
    dichloromethane 260.42
    cyclohexanone 221.49
    propylene glycol 4.96
    isopropyl acetate 91.03
    DMAc 157.23
    2-ethoxyethanol 60.36
    isopentanol 51.16
    n-heptane 5.12
    ethyl formate 36.21
    1,2-dichloroethane 143.42
    n-hexanol 42.07
    2-methoxyethanol 40.54
    isobutyl acetate 79.48
    tetrachloromethane 45.63
    n-pentyl acetate 122.22
    transcutol 183.37
    n-heptanol 35.5
    ethylbenzene 60.18
    MIBK 80.88
    2-propoxyethanol 82.09
    tert-butanol 28.35
    MTBE 69.42
    2-butoxyethanol 85.99
    propionic acid 43.02
    o-xylene 61.79
    formic acid 6.74
    diethyl ether 68.97
    m-xylene 59.38
    p-xylene 73.99
    chlorobenzene 125.94
    dimethyl carbonate 28.32
    n-octane 2.44
    formamide 13.34
    cyclopentanone 179.8
    2-pentanone 110.38
    anisole 93.7
    cyclopentyl methyl ether 120.85
    gamma-butyrolactone 146.36
    1-methoxy-2-propanol 44.41
    pyridine 169.81
    3-pentanone 103.29
    furfural 111.95
    n-dodecane 1.58
    diethylene glycol 21.71
    diisopropyl ether 24.95
    tert-amyl alcohol 49.86
    acetylacetone 105.53
    n-hexadecane 1.95
    acetophenone 106.49
    methyl propionate 83.07
    isopentyl acetate 109.2
    trichloroethylene 320.86
    n-nonanol 27.07
    cyclohexanol 62.92
    benzyl alcohol 68.49
    2-ethylhexanol 35.77
    isooctanol 36.33
    dipropyl ether 43.19
    1,2-dichlorobenzene 110.15
    ethyl lactate 37.43
    propylene carbonate 88.85
    n-methylformamide 24.28
    2-pentanol 38.15
    n-pentane 5.37
    1-propoxy-2-propanol 67.03
    1-methoxy-2-propyl acetate 106.96
    2-(2-methoxypropoxy) propanol 67.43
    mesitylene 31.1
    ε-caprolactone 215.86
    p-cymene 28.31
    epichlorohydrin 226.32
    1,1,1-trichloroethane 165.75
    2-aminoethanol 7.72
    morpholine-4-carbaldehyde 113.29
    sulfolane 128.28
    2,2,4-trimethylpentane 6.46
    2-methyltetrahydrofuran 190.59
    n-hexyl acetate 105.32
    isooctane 3.61
    2-(2-butoxyethoxy)ethanol 84.38
    sec-butyl acetate 89.87
    tert-butyl acetate 90.12
    decalin 10.36
    glycerin 7.12
    diglyme 171.0
    acrylic acid 30.46
    isopropyl myristate 31.78
    n-butyric acid 88.85
    acetyl acetate 66.4
    di(2-ethylhexyl) phthalate 40.05
    ethyl propionate 84.26
    nitromethane 58.9
    1,2-diethoxyethane 86.82
    benzonitrile 63.25
    trioctyl phosphate 23.64
    1-bromopropane 105.22
    gamma-valerolactone 241.97
    n-decanol 16.66
    triethyl phosphate 42.37
    4-methyl-2-pentanol 28.61
    propionitrile 36.58
    vinylene carbonate 81.73
    1,1,2-trichlorotrifluoroethane 114.09
    DMS 63.01
    cumene 36.17
    2-octanol 25.49
    2-hexanone 113.61
    octyl acetate 42.32
    limonene 38.35
    1,2-dimethoxyethane 109.82
    ethyl orthosilicate 47.12
    tributyl phosphate 29.08
    diacetone alcohol 78.56
    N,N-dimethylaniline 57.73
    acrylonitrile 32.82
    aniline 81.5
    1,3-propanediol 19.0
    bromobenzene 148.7
    dibromomethane 156.28
    1,1,2,2-tetrachloroethane 244.54
    2-methyl-cyclohexyl acetate 81.11
    tetrabutyl urea 40.38
    diisobutyl methanol 20.88
    2-phenylethanol 72.88
    styrene 66.68
    dioctyl adipate 52.77
    dimethyl sulfate 43.26
    ethyl butyrate 76.32
    methyl lactate 25.87
    butyl lactate 68.22
    diethyl carbonate 46.99
    propanediol butyl ether 43.52
    triethyl orthoformate 65.54
    p-tert-butyltoluene 24.36
    methyl 4-tert-butylbenzoate 86.4
    morpholine 139.78
    tert-butylamine 18.87
    n-dodecanol 11.18
    dimethoxymethane 55.91
    ethylene carbonate 74.01
    cyrene 83.34
    2-ethoxyethyl acetate 151.8
    2-ethylhexyl acetate 96.89
    1,2,4-trichlorobenzene 146.87
    4-methylpyridine 172.83
    dibutyl ether 37.64
    2,6-dimethyl-4-heptanol 20.88
    DEF 113.24
    dimethyl isosorbide 121.35
    tetrachloroethylene 139.58
    eugenol 78.27
    triacetin 106.38
    span 80 60.46
    1,4-butanediol 11.02
    1,1-dichloroethane 136.17
    2-methyl-1-pentanol 65.54
    methyl formate 17.43
    2-methyl-1-butanol 57.63
    n-decane 3.6
    butyronitrile 46.4
    3,7-dimethyl-1-octanol 28.47
    1-chlorooctane 22.2
    1-chlorotetradecane 6.64
    n-nonane 2.99
    undecane 2.2
    tert-butylcyclohexane 8.08
    cyclooctane 4.98
    cyclopentanol 50.25
    tetrahydropyran 168.97
    tert-amyl methyl ether 64.74
    2,5,8-trioxanonane 94.92
    1-hexene 33.32
    2-isopropoxyethanol 62.51
    2,2,2-trifluoroethanol 18.85
    methyl butyrate 104.04

    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