Idebenone

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  • Identifiers

    CAS number
    58186-27-9

    Molecular formula
    C19H30O5

    SMILES
    CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 38.72%
    Sweet 37.33%
    Lactonic 31.75%
    Buttery 28.05%
    Creamy 28.0%
    Caramellic 27.15%
    Milky 26.99%
    Floral 26.62%
    Odorless 25.62%
    Fatty 25.55%

     

    Flavor
    Herbal 36.72%
    Oily 24.3%
    Fruity 23.3%
    Spicy 23.03%
    Floral 22.95%
    Woody 22.69%
    Jasmin 22.54%
    Outdoor 22.1%
    Celery 21.71%
    Lovage 21.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.29 (neutral)

    Molecular weight
    338.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    543°C

    Flash point

    • 192.02 ˚C est.

  • Synonyms

    • idebenone
    • 58186-27-9
    • 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
    • Idebenona
    • Raxone
    • Idebenonum
    • Sovrima
    • CV 2619
    • hydroxydecyl ubiquinone
    • CV-2619
    • Oristar hdu
    • 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone
    • 6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone
    • DTXSID0040678
    • HB6PN45W4J
    • NSC-759228
    • CHEBI:31687
    • 2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-
    • 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone
    • DTXCID8020678
    • 2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone
    • noben
    • 6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-p-benzoquinone
    • RefChem:789668
    • N06BX13
    • MFCD00274552
    • 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione
    • BRN 2001459
    • 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione
    • 5,6-DIMETHOXY-2-(10-HYDROXYDECYL)-3-METHYL-1,4-BENZOQUINONE
    • NCGC00160514-01
    • 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4-benzoquinone
    • 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylbenzo-1,4-quinone
    • Idebenone [INN:JAN]
    • Idebenonum [Latin]
    • Idebenona [Spanish]
    • Avan
    • SMR000466364
    • CAS-58186-27-9
    • SR-01000759378
    • UNII-HB6PN45W4J
    • Cerestabon
    • Nemocebral
    • Catena
    • Mnesis
    • Cerestabon;
    • Geniceral;
    • Lucenabol;
    • Daruma;
    • Esanic;
    • Idesol;
    • Mnesis;
    • Avan;
    • Raxone (TN)
    • Idebenone (Standard)
    • IDEBENONE [INN]
    • IDEBENONE [JAN]
    • IDEBENONE [MI]
    • IDEBENONE [USAN]
    • IDEBENONE [MART.]
    • IDEBENONE [WHO-DD]
    • SNT-MC17
    • SCHEMBL28320
    • IDEBENONE [EMA EPAR]
    • Idebenone (JAN/USAN/INN)
    • MLS000759487
    • MLS001032035
    • MLS001424002
    • MLS006011882
    • Idebenone, analytical standard
    • Idebenone - Bio-X trade mark
    • CHEMBL252556
    • orb1310640
    • QSA-10
    • Idebenone, >=98% (HPLC)
    • HY-N0303R
    • FR114
    • GLXC-02503
    • HMS2051O06
    • HMS2089D08
    • HMS3393O06
    • HMS3656K22
    • HMS3713A10
    • HMS3884B12
    • HMS5081P09
    • HMS6019L05
    • Pharmakon1600-01505755
    • ALBB-027258
    • BB_NC-01322
    • HY-N0303
    • MSK11181
    • PXB90775
    • STR09227
    • Tox21_111864
    • BBL025842
    • BDBM50505498
    • EBC-15034
    • NSC759228
    • s2605
    • STK801942
    • 2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-
    • 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione
    • AKOS005622577
    • Tox21_111864_1
    • AC-4337
    • CCG-100846
    • FH24537
    • KS-5193
    • NC00096
    • NSC 759228
    • SB19130
    • NCGC00160514-02
    • NCGC00160514-03
    • BI164565
    • SY051193
    • SBI-0207024.P001
    • DB-053168
    • I0848
    • SW219495-1
    • D01750
    • H10427
    • AB00639997-04
    • AB00639997-06
    • AB00639997_07
    • AB00639997_08
    • EN300-7359600
    • 186I279
    • 58186-27-9

  • Applications

    Idebenone (CAS 58186-27-9) is used as an antioxidant additive in cosmetics and personal care formulations, helping protect ingredients from oxidation and stabilize actives in creams and serums; it is also explored for inclusion in dietary supplements/nutraceuticals as a redox-active ingredient; in pharmaceutical research, idebenone is explored as a potential active ingredient or formulation aid in redox-related drug development; and in industrial manufacturing it is investigated as an antioxidant stabilizer for coatings, inks, and polymer formulations to improve material longevity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.87
    methanol 124.33
    isopropanol 68.35
    water 0.37
    ethyl acetate 152.18
    n-propanol 98.35
    acetone 236.73
    n-butanol 85.53
    acetonitrile 111.03
    DMF 288.29
    toluene 63.66
    isobutanol 66.12
    1,4-dioxane 205.35
    methyl acetate 155.11
    THF 308.78
    2-butanone 177.12
    n-pentanol 63.1
    sec-butanol 75.53
    n-hexane 1.98
    ethylene glycol 32.11
    NMP 405.99
    cyclohexane 11.58
    DMSO 341.04
    n-butyl acetate 66.33
    n-octanol 18.35
    chloroform 474.61
    n-propyl acetate 78.39
    acetic acid 213.5
    dichloromethane 555.3
    cyclohexanone 385.53
    propylene glycol 38.89
    isopropyl acetate 85.78
    DMAc 295.44
    2-ethoxyethanol 143.94
    isopentanol 67.8
    n-heptane 1.18
    ethyl formate 113.43
    1,2-dichloroethane 449.78
    n-hexanol 39.49
    2-methoxyethanol 225.38
    isobutyl acetate 42.52
    tetrachloromethane 77.18
    n-pentyl acetate 71.99
    transcutol 171.67
    n-heptanol 28.65
    ethylbenzene 28.25
    MIBK 73.71
    2-propoxyethanol 100.49
    tert-butanol 73.79
    MTBE 47.04
    2-butoxyethanol 84.47
    propionic acid 136.99
    o-xylene 46.13
    formic acid 89.73
    diethyl ether 54.61
    m-xylene 38.92
    p-xylene 37.51
    chlorobenzene 153.6
    dimethyl carbonate 81.31
    n-octane 1.21
    formamide 183.66
    cyclopentanone 436.29
    2-pentanone 136.54
    anisole 56.2
    cyclopentyl methyl ether 114.37
    gamma-butyrolactone 488.37
    1-methoxy-2-propanol 133.73
    pyridine 276.26
    3-pentanone 116.44
    furfural 380.35
    n-dodecane 1.17
    diethylene glycol 107.13
    diisopropyl ether 13.78
    tert-amyl alcohol 68.69
    acetylacetone 204.98
    n-hexadecane 1.4
    acetophenone 99.3
    methyl propionate 143.35
    isopentyl acetate 60.76
    trichloroethylene 811.11
    n-nonanol 18.77
    cyclohexanol 123.91
    benzyl alcohol 92.66
    2-ethylhexanol 24.27
    isooctanol 25.9
    dipropyl ether 16.58
    1,2-dichlorobenzene 153.33
    ethyl lactate 54.38
    propylene carbonate 229.3
    n-methylformamide 175.87
    2-pentanol 47.64
    n-pentane 2.43
    1-propoxy-2-propanol 59.68
    1-methoxy-2-propyl acetate 78.12
    2-(2-methoxypropoxy) propanol 55.17
    mesitylene 22.89
    ε-caprolactone 299.51
    p-cymene 17.7
    epichlorohydrin 516.87
    1,1,1-trichloroethane 271.71
    2-aminoethanol 65.79
    morpholine-4-carbaldehyde 277.28
    sulfolane 569.43
    2,2,4-trimethylpentane 2.91
    2-methyltetrahydrofuran 187.99
    n-hexyl acetate 63.02
    isooctane 1.64
    2-(2-butoxyethoxy)ethanol 75.23
    sec-butyl acetate 49.01
    tert-butyl acetate 79.57
    decalin 5.67
    glycerin 76.76
    diglyme 158.34
    acrylic acid 138.15
    isopropyl myristate 19.22
    n-butyric acid 189.12
    acetyl acetate 119.23
    di(2-ethylhexyl) phthalate 33.67
    ethyl propionate 71.55
    nitromethane 373.28
    1,2-diethoxyethane 54.75
    benzonitrile 112.65
    trioctyl phosphate 23.13
    1-bromopropane 115.25
    gamma-valerolactone 481.98
    n-decanol 13.27
    triethyl phosphate 34.54
    4-methyl-2-pentanol 25.39
    propionitrile 98.7
    vinylene carbonate 204.66
    1,1,2-trichlorotrifluoroethane 381.94
    DMS 80.74
    cumene 19.28
    2-octanol 18.09
    2-hexanone 75.21
    octyl acetate 29.09
    limonene 24.8
    1,2-dimethoxyethane 158.29
    ethyl orthosilicate 30.35
    tributyl phosphate 26.06
    diacetone alcohol 108.2
    N,N-dimethylaniline 39.24
    acrylonitrile 153.77
    aniline 111.97
    1,3-propanediol 115.39
    bromobenzene 139.3
    dibromomethane 298.69
    1,1,2,2-tetrachloroethane 573.27
    2-methyl-cyclohexyl acetate 51.26
    tetrabutyl urea 38.33
    diisobutyl methanol 14.4
    2-phenylethanol 69.56
    styrene 37.07
    dioctyl adipate 38.74
    dimethyl sulfate 157.35
    ethyl butyrate 50.19
    methyl lactate 88.84
    butyl lactate 59.57
    diethyl carbonate 38.16
    propanediol butyl ether 56.96
    triethyl orthoformate 36.42
    p-tert-butyltoluene 15.02
    methyl 4-tert-butylbenzoate 77.05
    morpholine 262.95
    tert-butylamine 31.63
    n-dodecanol 9.58
    dimethoxymethane 156.24
    ethylene carbonate 178.79
    cyrene 109.22
    2-ethoxyethyl acetate 100.12
    2-ethylhexyl acetate 47.46
    1,2,4-trichlorobenzene 180.62
    4-methylpyridine 193.03
    dibutyl ether 17.2
    2,6-dimethyl-4-heptanol 14.4
    DEF 172.37
    dimethyl isosorbide 113.98
    tetrachloroethylene 388.99
    eugenol 78.57
    triacetin 78.33
    span 80 54.87
    1,4-butanediol 55.04
    1,1-dichloroethane 265.13
    2-methyl-1-pentanol 57.52
    methyl formate 146.09
    2-methyl-1-butanol 72.0
    n-decane 1.91
    butyronitrile 92.7
    3,7-dimethyl-1-octanol 19.0
    1-chlorooctane 13.71
    1-chlorotetradecane 5.27
    n-nonane 1.56
    undecane 1.46
    tert-butylcyclohexane 3.49
    cyclooctane 2.75
    cyclopentanol 136.83
    tetrahydropyran 185.51
    tert-amyl methyl ether 42.25
    2,5,8-trioxanonane 93.93
    1-hexene 11.52
    2-isopropoxyethanol 83.24
    2,2,2-trifluoroethanol 121.76
    methyl butyrate 104.39

    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