Sargachromanol C

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  • Identifiers

    CAS number
    856414-52-3

    Molecular formula
    C27H40O3

    SMILES
    CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/[C@@H](CC=C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 51.77%
    Woody 44.42%
    Fruity 40.04%
    Sweet 36.72%
    Powdery 32.25%
    Balsamic 29.02%
    Fresh 27.86%
    Musk 27.39%
    Amber 27.05%
    Dry 26.48%

     

    Flavor
    Woody 48.95%
    Floral 45.97%
    Herbal 41.96%
    Wood 33.07%
    Flower 31.4%
    Balsam 28.71%
    Spicy 28.39%
    Fresh 27.28%
    Spice 25.64%
    Mild 23.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    9.85 (weak base)

    Molecular weight
    412.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    672°C

    Flash point

    • 198.03 ˚C est.

  • Synonyms

    • Sargachromanol C
    • Sargasol C
    • Sargachromanol C, (+)-
    • UNII-73O50WVY91
    • 73O50WVY91
    • 856414-52-3
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-((3E,7E,9R)-9-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl)-2,8-dimethyl-, (2R)-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-((3E,7E,9R)-9-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrienyl)-2,8-dimethyl-, (2R)-
    • DTXSID60234889
    • (2R)-2-((3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-2,8-dimethyl-3,4-dihydrochromen-6-ol
    • (2R)-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
    • RefChem:181403
    • SARGACHROMANOL C [INCI]
    • DTXCID40157380
    • CHEMBL465201
    • BDBM50483670
    • Q27266194
    • (2R)-2-[(3E,7E,9R)-9-Hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-6-ol
    • 856414-52-3

  • Applications

    Sargachromanol C may be used as a natural antioxidant and stabilizer in cosmetics and personal care formulations; it is of interest as an antioxidant or processing additive in polymers and coatings, where it can help improve oxidative stability; it is often evaluated as an intermediate or starting material for the synthesis of chromanol-based compounds in pharmaceutical or fine-chemical applications; it may be considered for use in food processing as a natural antioxidant; and it can serve as a pigment/colorant precursor for coatings and inks, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.22
    methanol 10.7
    isopropanol 8.7
    water 0.01
    ethyl acetate 28.7
    n-propanol 19.45
    acetone 15.37
    n-butanol 24.61
    acetonitrile 4.56
    DMF 16.34
    toluene 27.52
    isobutanol 13.6
    1,4-dioxane 70.34
    methyl acetate 18.96
    THF 160.49
    2-butanone 36.14
    n-pentanol 29.24
    sec-butanol 17.51
    n-hexane 2.43
    ethylene glycol 0.32
    NMP 23.84
    cyclohexane 3.29
    DMSO 23.12
    n-butyl acetate 44.32
    n-octanol 23.34
    chloroform 123.84
    n-propyl acetate 34.41
    acetic acid 10.99
    dichloromethane 81.13
    cyclohexanone 55.76
    propylene glycol 1.54
    isopropyl acetate 25.64
    DMAc 68.44
    2-ethoxyethanol 46.77
    isopentanol 25.07
    n-heptane 2.81
    ethyl formate 11.47
    1,2-dichloroethane 36.24
    n-hexanol 31.78
    2-methoxyethanol 27.47
    isobutyl acetate 32.82
    tetrachloromethane 10.65
    n-pentyl acetate 53.65
    transcutol 240.57
    n-heptanol 25.84
    ethylbenzene 19.38
    MIBK 30.1
    2-propoxyethanol 71.06
    tert-butanol 14.35
    MTBE 43.87
    2-butoxyethanol 62.0
    propionic acid 8.99
    o-xylene 15.62
    formic acid 2.19
    diethyl ether 34.73
    m-xylene 17.04
    p-xylene 20.36
    chlorobenzene 29.1
    dimethyl carbonate 7.2
    n-octane 1.36
    formamide 3.75
    cyclopentanone 41.04
    2-pentanone 30.3
    anisole 52.67
    cyclopentyl methyl ether 41.75
    gamma-butyrolactone 34.48
    1-methoxy-2-propanol 27.31
    pyridine 46.41
    3-pentanone 25.67
    furfural 33.86
    n-dodecane 1.2
    diethylene glycol 15.58
    diisopropyl ether 10.09
    tert-amyl alcohol 24.65
    acetylacetone 27.78
    n-hexadecane 1.42
    acetophenone 38.24
    methyl propionate 19.31
    isopentyl acetate 55.59
    trichloroethylene 86.95
    n-nonanol 27.68
    cyclohexanol 18.16
    benzyl alcohol 27.08
    2-ethylhexanol 28.33
    isooctanol 25.54
    dipropyl ether 32.68
    1,2-dichlorobenzene 28.29
    ethyl lactate 14.47
    propylene carbonate 21.79
    n-methylformamide 6.03
    2-pentanol 13.71
    n-pentane 1.49
    1-propoxy-2-propanol 52.65
    1-methoxy-2-propyl acetate 58.48
    2-(2-methoxypropoxy) propanol 72.25
    mesitylene 9.98
    ε-caprolactone 61.45
    p-cymene 13.64
    epichlorohydrin 76.4
    1,1,1-trichloroethane 35.34
    2-aminoethanol 2.5
    morpholine-4-carbaldehyde 52.96
    sulfolane 37.93
    2,2,4-trimethylpentane 2.53
    2-methyltetrahydrofuran 74.03
    n-hexyl acetate 67.47
    isooctane 1.55
    2-(2-butoxyethoxy)ethanol 96.11
    sec-butyl acetate 32.81
    tert-butyl acetate 36.81
    decalin 3.43
    glycerin 2.66
    diglyme 171.83
    acrylic acid 5.34
    isopropyl myristate 26.47
    n-butyric acid 25.46
    acetyl acetate 16.42
    di(2-ethylhexyl) phthalate 29.65
    ethyl propionate 28.33
    nitromethane 16.68
    1,2-diethoxyethane 89.11
    benzonitrile 17.86
    trioctyl phosphate 17.66
    1-bromopropane 33.21
    gamma-valerolactone 82.67
    n-decanol 18.15
    triethyl phosphate 23.13
    4-methyl-2-pentanol 13.1
    propionitrile 8.26
    vinylene carbonate 21.2
    1,1,2-trichlorotrifluoroethane 39.23
    DMS 23.32
    cumene 14.63
    2-octanol 16.66
    2-hexanone 45.56
    octyl acetate 32.84
    limonene 18.3
    1,2-dimethoxyethane 98.84
    ethyl orthosilicate 30.68
    tributyl phosphate 20.38
    diacetone alcohol 33.15
    N,N-dimethylaniline 35.16
    acrylonitrile 6.88
    aniline 20.22
    1,3-propanediol 8.43
    bromobenzene 35.25
    dibromomethane 49.99
    1,1,2,2-tetrachloroethane 78.96
    2-methyl-cyclohexyl acetate 50.04
    tetrabutyl urea 28.78
    diisobutyl methanol 15.15
    2-phenylethanol 38.46
    styrene 20.09
    dioctyl adipate 40.6
    dimethyl sulfate 11.33
    ethyl butyrate 37.05
    methyl lactate 8.03
    butyl lactate 33.33
    diethyl carbonate 21.58
    propanediol butyl ether 34.11
    triethyl orthoformate 43.36
    p-tert-butyltoluene 13.3
    methyl 4-tert-butylbenzoate 53.61
    morpholine 81.13
    tert-butylamine 8.45
    n-dodecanol 12.05
    dimethoxymethane 32.18
    ethylene carbonate 19.16
    cyrene 47.32
    2-ethoxyethyl acetate 76.75
    2-ethylhexyl acetate 49.94
    1,2,4-trichlorobenzene 36.34
    4-methylpyridine 46.62
    dibutyl ether 38.79
    2,6-dimethyl-4-heptanol 15.15
    DEF 31.47
    dimethyl isosorbide 110.74
    tetrachloroethylene 41.31
    eugenol 53.0
    triacetin 57.58
    span 80 53.6
    1,4-butanediol 4.27
    1,1-dichloroethane 28.64
    2-methyl-1-pentanol 37.27
    methyl formate 4.58
    2-methyl-1-butanol 26.23
    n-decane 2.81
    butyronitrile 13.81
    3,7-dimethyl-1-octanol 27.02
    1-chlorooctane 16.24
    1-chlorotetradecane 5.17
    n-nonane 2.2
    undecane 1.72
    tert-butylcyclohexane 3.59
    cyclooctane 1.52
    cyclopentanol 11.36
    tetrahydropyran 85.04
    tert-amyl methyl ether 38.15
    2,5,8-trioxanonane 113.87
    1-hexene 12.84
    2-isopropoxyethanol 42.11
    2,2,2-trifluoroethanol 3.02
    methyl butyrate 35.49

    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