Solanesol

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  • Identifiers

    CAS number
    13190-97-1

    Molecular formula
    C45H74O

    SMILES
    CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.0%
    Balsamic 54.61%
    Green 51.89%
    Waxy 50.51%
    Oily 42.19%
    Woody 41.66%
    Sweet 37.42%
    Rose 34.76%
    Muguet 30.71%
    Fruity 30.34%

     

    Flavor
    Floral 47.95%
    Balsam 46.23%
    Waxy 39.65%
    Citrus 32.83%
    Sweet 32.59%
    Balsamic 30.7%
    Wood 29.98%
    Fresh 29.73%
    Wax 29.66%
    Flower 27.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.9

    pKa est.
    9.83 (weak base)

    Molecular weight
    631.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    613°C

    Flash point

    • 280.62 ˚C est.

  • Synonyms

    • Solanesol
    • 13190-97-1
    • Nonaisoprenol
    • 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-
    • Betulanonaprenol
    • (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
    • FF31XTR2N4
    • DTXSID60884580
    • CHEBI:26718
    • RefChem:888063
    • DTXCID701024014
    • 603-532-7
    • Solanesol from tobacco
    • MFCD00070279
    • Solanesol (~90%)
    • C45H74O
    • Farnesylfarnesylfarnesol
    • SR-05000002169
    • UNII-FF31XTR2N4
    • Solaneso
    • Solanesol_major
    • Betulaprenol 9
    • SOLANESOL [MI]
    • Solanesol (Nonaisoprenol)
    • SCHEMBL182776
    • SPECTRUM1505325
    • orb1304394
    • CHEMBL1567436
    • HY-N0576
    • MSK160905
    • NSC299938
    • s2360
    • AKOS008901388
    • AC-4742
    • CCG-208614
    • EBC-223025
    • FS36886
    • NSC-299938
    • SDCCGMLS-0066857.P001
    • NCGC00095707-01
    • NCGC00095707-02
    • NCGC00095707-04
    • 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-
    • AS-75081
    • LS-15469
    • Solanesol from tobacco, >=90% (HPLC)
    • CS-0009112
    • NS00073894
    • 190S971
    • SR-05000002169-2
    • SR-05000002169-3
    • Q26841010
    • (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexa- triacontanonaen-1-ol
    • 2,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-
    • 13190-97-1

  • Applications

    Solanesol (CAS 13190-97-1) is primarily used as an intermediate in the synthesis of ubiquinone (CoQ10); the resulting CoQ10 is widely used as an antioxidant in dietary supplements and cosmetics. In the pharmaceutical and nutraceutical sectors, CoQ10 derived from Solanesol is used in nutritional supplements and in skin-care formulations. Additionally, Solanesol serves as a key building block in the industrial manufacture of ubiquinone derivatives for pharmaceutical and nutraceutical applications. Overall, the main applications lie in the pharmaceutical/nutraceutical and cosmetic markets as a precursor to CoQ10.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.07
    methanol 0.07
    isopropanol 0.03
    water 0.0
    ethyl acetate 0.95
    n-propanol 0.12
    acetone 0.27
    n-butanol 0.14
    acetonitrile 0.05
    DMF 0.49
    toluene 1.6
    isobutanol 0.08
    1,4-dioxane 1.31
    methyl acetate 0.4
    THF 6.05
    2-butanone 0.86
    n-pentanol 0.26
    sec-butanol 0.12
    n-hexane 0.49
    ethylene glycol 0.0
    NMP 3.29
    cyclohexane 0.45
    DMSO 0.38
    n-butyl acetate 1.58
    n-octanol 0.24
    chloroform 5.04
    n-propyl acetate 1.39
    acetic acid 0.14
    dichloromethane 3.92
    cyclohexanone 2.37
    propylene glycol 0.01
    isopropyl acetate 0.94
    DMAc 2.52
    2-ethoxyethanol 0.48
    isopentanol 0.16
    n-heptane 0.49
    ethyl formate 0.29
    1,2-dichloroethane 1.47
    n-hexanol 0.23
    2-methoxyethanol 0.23
    isobutyl acetate 1.18
    tetrachloromethane 0.79
    n-pentyl acetate 1.91
    transcutol 3.86
    n-heptanol 0.3
    ethylbenzene 1.83
    MIBK 0.87
    2-propoxyethanol 0.72
    tert-butanol 0.06
    MTBE 0.9
    2-butoxyethanol 0.96
    propionic acid 0.14
    o-xylene 1.17
    formic acid 0.03
    diethyl ether 0.84
    m-xylene 1.3
    p-xylene 1.62
    chlorobenzene 1.61
    dimethyl carbonate 0.28
    n-octane 0.16
    formamide 0.06
    cyclopentanone 2.56
    2-pentanone 0.95
    anisole 2.74
    cyclopentyl methyl ether 3.24
    gamma-butyrolactone 2.22
    1-methoxy-2-propanol 0.28
    pyridine 1.92
    3-pentanone 1.21
    furfural 1.89
    n-dodecane 0.07
    diethylene glycol 0.08
    diisopropyl ether 0.46
    tert-amyl alcohol 0.24
    acetylacetone 1.04
    n-hexadecane 0.08
    acetophenone 2.19
    methyl propionate 0.74
    isopentyl acetate 1.9
    trichloroethylene 4.18
    n-nonanol 0.37
    cyclohexanol 0.28
    benzyl alcohol 0.48
    2-ethylhexanol 0.55
    isooctanol 0.4
    dipropyl ether 2.7
    1,2-dichlorobenzene 2.16
    ethyl lactate 0.38
    propylene carbonate 1.3
    n-methylformamide 0.13
    2-pentanol 0.13
    n-pentane 0.16
    1-propoxy-2-propanol 0.92
    1-methoxy-2-propyl acetate 2.08
    2-(2-methoxypropoxy) propanol 1.98
    mesitylene 0.82
    ε-caprolactone 3.03
    p-cymene 1.08
    epichlorohydrin 3.63
    1,1,1-trichloroethane 1.94
    2-aminoethanol 0.01
    morpholine-4-carbaldehyde 1.93
    sulfolane 3.23
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 3.97
    n-hexyl acetate 1.63
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 1.68
    sec-butyl acetate 1.79
    tert-butyl acetate 1.91
    decalin 0.67
    glycerin 0.02
    diglyme 5.12
    acrylic acid 0.1
    isopropyl myristate 0.91
    n-butyric acid 0.45
    acetyl acetate 0.62
    di(2-ethylhexyl) phthalate 0.72
    ethyl propionate 1.92
    nitromethane 0.32
    1,2-diethoxyethane 2.99
    benzonitrile 0.43
    trioctyl phosphate 0.36
    1-bromopropane 1.72
    gamma-valerolactone 4.23
    n-decanol 0.23
    triethyl phosphate 2.22
    4-methyl-2-pentanol 0.15
    propionitrile 0.13
    vinylene carbonate 0.98
    1,1,2-trichlorotrifluoroethane 1.37
    DMS 0.75
    cumene 1.22
    2-octanol 0.23
    2-hexanone 1.72
    octyl acetate 0.86
    limonene 1.7
    1,2-dimethoxyethane 2.38
    ethyl orthosilicate 3.02
    tributyl phosphate 0.54
    diacetone alcohol 0.72
    N,N-dimethylaniline 2.49
    acrylonitrile 0.13
    aniline 0.49
    1,3-propanediol 0.04
    bromobenzene 2.7
    dibromomethane 2.54
    1,1,2,2-tetrachloroethane 3.57
    2-methyl-cyclohexyl acetate 3.64
    tetrabutyl urea 0.99
    diisobutyl methanol 0.45
    2-phenylethanol 0.61
    styrene 1.49
    dioctyl adipate 1.74
    dimethyl sulfate 0.67
    ethyl butyrate 3.21
    methyl lactate 0.16
    butyl lactate 0.82
    diethyl carbonate 1.45
    propanediol butyl ether 0.36
    triethyl orthoformate 4.17
    p-tert-butyltoluene 1.07
    methyl 4-tert-butylbenzoate 2.98
    morpholine 1.53
    tert-butylamine 0.06
    n-dodecanol 0.15
    dimethoxymethane 0.8
    ethylene carbonate 0.76
    cyrene 2.07
    2-ethoxyethyl acetate 2.37
    2-ethylhexyl acetate 2.54
    1,2,4-trichlorobenzene 2.45
    4-methylpyridine 1.84
    dibutyl ether 1.83
    2,6-dimethyl-4-heptanol 0.45
    DEF 1.41
    dimethyl isosorbide 6.47
    tetrachloroethylene 1.87
    eugenol 1.62
    triacetin 1.92
    span 80 1.22
    1,4-butanediol 0.02
    1,1-dichloroethane 0.96
    2-methyl-1-pentanol 0.45
    methyl formate 0.13
    2-methyl-1-butanol 0.22
    n-decane 0.2
    butyronitrile 0.21
    3,7-dimethyl-1-octanol 0.41
    1-chlorooctane 0.68
    1-chlorotetradecane 0.2
    n-nonane 0.17
    undecane 0.11
    tert-butylcyclohexane 0.65
    cyclooctane 0.32
    cyclopentanol 0.23
    tetrahydropyran 2.53
    tert-amyl methyl ether 1.98
    2,5,8-trioxanonane 3.21
    1-hexene 1.11
    2-isopropoxyethanol 0.46
    2,2,2-trifluoroethanol 0.06
    methyl butyrate 2.11

    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