cis-Solamin

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  • Identifiers

    CAS number
    158705-59-0

    Molecular formula
    C35H64O5

    SMILES
    CCCCCCCCCCCC[C@@H]([C@@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC2=C[C@@H](OC2=O)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 47.73%
    Oily 39.94%
    Fatty 39.91%
    Odorless 32.58%
    Milky 26.07%
    Lactonic 26.03%
    Fresh 25.12%
    Fruity 25.0%
    Woody 24.15%
    Peach 24.03%

     

    Flavor
    Waxy 33.58%
    Fatty 32.48%
    Bland 31.23%
    Mild 30.85%
    Oily 27.21%
    Odorless 24.42%
    Slightly waxy 22.36%
    Faint 21.5%
    Delicate 21.21%
    Bay oil 20.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.8

    pKa est.
    8.49 (weak base)

    Molecular weight
    564.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1071°C

    Flash point

    • 237.44 ˚C est.

  • Synonyms

    • CIS-SOLAMIN
    • (2S)-4-((13R)-13-hydroxy-13-((2R,5S)-5-((1S)-1-hydroxytridecyl)oxolan-2-yl)tridecyl)-2-methyl-2H-furan-5-one
    • (2S)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
    • RefChem:918714
    • 158705-59-0
    • CHEMBL396297
    • CHEBI:176066
    • DTXSID001105706
    • GLXC-19137
    • BDBM50004705
    • (15R,16R,19S,20S)-cis-Solamin
    • (2S)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-uran-5-one
    • (5S)-3-[(13R)-13-Hydroxy-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
    • 158705-59-0

  • Applications

    cis-Solamin (CAS 158705-59-0) is typically used as an intermediate in organic synthesis and as a processing aid in various industrial formulations. It can function as a solvent or co-solvent in polymer/plastics processing and in coatings and inks, helping to dissolve or disperse formulation components. It is also encountered as a component in cleaning products as a solvent or formulation aid, and may be evaluated for use in cosmetics/personal care formulations as a solvent or processing aid. In some applications, it can act as a stabilizer or chelating-type additive to improve formulation performance. Use is formulation- and regulation-dependent, and subject to local requirements and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.88
    methanol 8.87
    isopropanol 6.28
    water 0.13
    ethyl acetate 59.71
    n-propanol 11.54
    acetone 38.6
    n-butanol 13.5
    acetonitrile 11.45
    DMF 50.95
    toluene 30.25
    isobutanol 10.22
    1,4-dioxane 66.78
    methyl acetate 37.47
    THF 200.8
    2-butanone 58.72
    n-pentanol 14.11
    sec-butanol 12.95
    n-hexane 3.93
    ethylene glycol 0.99
    NMP 248.62
    cyclohexane 11.8
    DMSO 59.06
    n-butyl acetate 52.97
    n-octanol 24.36
    chloroform 223.09
    n-propyl acetate 55.49
    acetic acid 31.18
    dichloromethane 219.93
    cyclohexanone 181.77
    propylene glycol 2.63
    isopropyl acetate 55.8
    DMAc 176.05
    2-ethoxyethanol 35.65
    isopentanol 15.93
    n-heptane 4.36
    ethyl formate 27.56
    1,2-dichloroethane 104.47
    n-hexanol 12.83
    2-methoxyethanol 30.61
    isobutyl acetate 39.48
    tetrachloromethane 46.19
    n-pentyl acetate 118.1
    transcutol 188.6
    n-heptanol 22.58
    ethylbenzene 22.52
    MIBK 48.65
    2-propoxyethanol 41.97
    tert-butanol 10.66
    MTBE 29.98
    2-butoxyethanol 67.16
    propionic acid 24.56
    o-xylene 28.07
    formic acid 9.42
    diethyl ether 27.76
    m-xylene 23.26
    p-xylene 28.07
    chlorobenzene 57.41
    dimethyl carbonate 27.75
    n-octane 2.88
    formamide 16.5
    cyclopentanone 191.98
    2-pentanone 61.61
    anisole 42.08
    cyclopentyl methyl ether 97.13
    gamma-butyrolactone 208.26
    1-methoxy-2-propanol 33.32
    pyridine 85.17
    3-pentanone 61.06
    furfural 129.32
    n-dodecane 1.95
    diethylene glycol 13.74
    diisopropyl ether 14.73
    tert-amyl alcohol 19.46
    acetylacetone 88.31
    n-hexadecane 2.4
    acetophenone 64.13
    methyl propionate 52.75
    isopentyl acetate 60.6
    trichloroethylene 231.38
    n-nonanol 26.91
    cyclohexanol 34.22
    benzyl alcohol 26.64
    2-ethylhexanol 16.59
    isooctanol 23.54
    dipropyl ether 32.13
    1,2-dichlorobenzene 76.66
    ethyl lactate 28.85
    propylene carbonate 114.35
    n-methylformamide 23.46
    2-pentanol 12.7
    n-pentane 3.04
    1-propoxy-2-propanol 44.22
    1-methoxy-2-propyl acetate 74.31
    2-(2-methoxypropoxy) propanol 60.22
    mesitylene 16.27
    ε-caprolactone 205.72
    p-cymene 17.76
    epichlorohydrin 191.25
    1,1,1-trichloroethane 126.12
    2-aminoethanol 4.29
    morpholine-4-carbaldehyde 138.09
    sulfolane 304.93
    2,2,4-trimethylpentane 4.45
    2-methyltetrahydrofuran 131.05
    n-hexyl acetate 107.7
    isooctane 1.94
    2-(2-butoxyethoxy)ethanol 77.93
    sec-butyl acetate 50.61
    tert-butyl acetate 73.04
    decalin 8.01
    glycerin 6.02
    diglyme 175.87
    acrylic acid 20.05
    isopropyl myristate 31.0
    n-butyric acid 57.1
    acetyl acetate 50.51
    di(2-ethylhexyl) phthalate 31.86
    ethyl propionate 57.12
    nitromethane 65.64
    1,2-diethoxyethane 73.82
    benzonitrile 32.76
    trioctyl phosphate 22.98
    1-bromopropane 53.14
    gamma-valerolactone 265.05
    n-decanol 15.46
    triethyl phosphate 41.59
    4-methyl-2-pentanol 10.88
    propionitrile 14.74
    vinylene carbonate 93.0
    1,1,2-trichlorotrifluoroethane 135.98
    DMS 52.35
    cumene 17.02
    2-octanol 20.41
    2-hexanone 54.19
    octyl acetate 41.97
    limonene 28.05
    1,2-dimethoxyethane 69.23
    ethyl orthosilicate 43.37
    tributyl phosphate 29.88
    diacetone alcohol 57.85
    N,N-dimethylaniline 36.2
    acrylonitrile 17.08
    aniline 28.77
    1,3-propanediol 9.2
    bromobenzene 69.99
    dibromomethane 118.22
    1,1,2,2-tetrachloroethane 205.68
    2-methyl-cyclohexyl acetate 63.66
    tetrabutyl urea 44.56
    diisobutyl methanol 12.37
    2-phenylethanol 26.94
    styrene 23.69
    dioctyl adipate 56.65
    dimethyl sulfate 72.71
    ethyl butyrate 60.25
    methyl lactate 27.55
    butyl lactate 73.26
    diethyl carbonate 34.43
    propanediol butyl ether 41.02
    triethyl orthoformate 59.0
    p-tert-butyltoluene 16.49
    methyl 4-tert-butylbenzoate 99.53
    morpholine 87.05
    tert-butylamine 7.56
    n-dodecanol 9.79
    dimethoxymethane 47.71
    ethylene carbonate 83.41
    cyrene 76.9
    2-ethoxyethyl acetate 140.4
    2-ethylhexyl acetate 54.86
    1,2,4-trichlorobenzene 97.08
    4-methylpyridine 71.69
    dibutyl ether 43.07
    2,6-dimethyl-4-heptanol 12.37
    DEF 85.75
    dimethyl isosorbide 141.99
    tetrachloroethylene 134.06
    eugenol 70.82
    triacetin 128.79
    span 80 57.85
    1,4-butanediol 4.96
    1,1-dichloroethane 79.93
    2-methyl-1-pentanol 19.36
    methyl formate 19.66
    2-methyl-1-butanol 17.54
    n-decane 5.09
    butyronitrile 17.75
    3,7-dimethyl-1-octanol 22.7
    1-chlorooctane 25.98
    1-chlorotetradecane 7.07
    n-nonane 4.28
    undecane 2.91
    tert-butylcyclohexane 5.42
    cyclooctane 4.98
    cyclopentanol 35.82
    tetrahydropyran 97.26
    tert-amyl methyl ether 41.74
    2,5,8-trioxanonane 98.9
    1-hexene 12.21
    2-isopropoxyethanol 32.01
    2,2,2-trifluoroethanol 25.51
    methyl butyrate 73.93

    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