Sargachromanol D

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  • Identifiers

    CAS number
    856414-53-4

    Molecular formula
    C27H40O4

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 43.82%
    Woody 43.28%
    Sweet 33.38%
    Fruity 33.13%
    Powdery 28.72%
    Dry 27.96%
    Musk 27.44%
    Balsamic 27.3%
    Amber 27.22%
    Spicy 25.99%

     

    Flavor
    Herbal 39.86%
    Woody 38.44%
    Floral 32.22%
    Bitter 28.69%
    Flower 26.59%
    Wood 25.36%
    Mild 24.64%
    Balsam 23.64%
    Spicy 22.17%
    Fresh 21.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    9.54 (weak base)

    Molecular weight
    428.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    816°C

    Flash point

    • 211.47 ˚C est.

  • Synonyms

    • Sargachromanol D
    • Sargachromanol D, (+)-
    • Sargachromano D
    • UNII-1RKQ26739T
    • 1RKQ26739T
    • 856414-53-4
    • (R)-3,4-Dihydro-2-((3E,7E,9S,10R)-9,10-dihydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-2,8-dimethyl-2H-chromen-6-ol
    • 2,6,10-Tridecatriene-4,5-diol, 13-((2R)-3,4-dihydro-6-hydroxy-2,8-dimethyl-2H-1-benzopyran-2-yl)-2,6,10-trimethyl-, (4R,5S,6E,10E)-
    • CHEMBL465202
    • DTXSID70234890
    • BDBM50483663
    • (4R,5S,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol
    • Q27252796
    • 856414-53-4

  • Applications

    Sargachromanol D (CAS 856414-53-4) is a marine-derived polyphenolic compound typically evaluated as an antioxidant and stabilizer in cosmetic and personal-care formulations; it is also studied as a natural stabilizer with potential chelating properties in polymer and plastics systems. In coatings and inks, it may function as a bio-based stabilizer or antioxidant additive. It is commonly explored as an intermediate or building block in organic synthesis for specialty chemicals in industrial manufacturing, and serves as a research lead in pharmaceutical and biochemical contexts to explore structure–activity relationships. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.82
    methanol 18.14
    isopropanol 4.73
    water 0.02
    ethyl acetate 9.44
    n-propanol 15.4
    acetone 12.23
    n-butanol 15.96
    acetonitrile 2.24
    DMF 16.64
    toluene 11.14
    isobutanol 8.59
    1,4-dioxane 44.79
    methyl acetate 8.18
    THF 125.51
    2-butanone 19.0
    n-pentanol 19.95
    sec-butanol 9.49
    n-hexane 0.82
    ethylene glycol 0.42
    NMP 23.0
    cyclohexane 1.1
    DMSO 29.95
    n-butyl acetate 14.7
    n-octanol 17.57
    chloroform 44.73
    n-propyl acetate 12.38
    acetic acid 11.32
    dichloromethane 28.49
    cyclohexanone 34.64
    propylene glycol 1.85
    isopropyl acetate 9.29
    DMAc 50.8
    2-ethoxyethanol 39.79
    isopentanol 14.21
    n-heptane 1.11
    ethyl formate 7.26
    1,2-dichloroethane 14.23
    n-hexanol 19.36
    2-methoxyethanol 29.5
    isobutyl acetate 12.83
    tetrachloromethane 3.98
    n-pentyl acetate 27.9
    transcutol 149.71
    n-heptanol 19.96
    ethylbenzene 7.15
    MIBK 15.03
    2-propoxyethanol 51.98
    tert-butanol 8.21
    MTBE 16.68
    2-butoxyethanol 48.33
    propionic acid 6.46
    o-xylene 6.68
    formic acid 3.17
    diethyl ether 12.63
    m-xylene 7.18
    p-xylene 7.38
    chlorobenzene 11.32
    dimethyl carbonate 4.6
    n-octane 0.65
    formamide 4.43
    cyclopentanone 29.9
    2-pentanone 15.45
    anisole 22.91
    cyclopentyl methyl ether 24.18
    gamma-butyrolactone 25.34
    1-methoxy-2-propanol 22.45
    pyridine 26.49
    3-pentanone 11.8
    furfural 24.46
    n-dodecane 0.58
    diethylene glycol 14.58
    diisopropyl ether 3.65
    tert-amyl alcohol 12.97
    acetylacetone 16.62
    n-hexadecane 0.67
    acetophenone 18.49
    methyl propionate 8.72
    isopentyl acetate 21.77
    trichloroethylene 34.81
    n-nonanol 20.25
    cyclohexanol 10.14
    benzyl alcohol 16.86
    2-ethylhexanol 14.21
    isooctanol 18.35
    dipropyl ether 12.82
    1,2-dichlorobenzene 11.01
    ethyl lactate 8.25
    propylene carbonate 11.68
    n-methylformamide 6.53
    2-pentanol 6.68
    n-pentane 0.53
    1-propoxy-2-propanol 32.89
    1-methoxy-2-propyl acetate 25.85
    2-(2-methoxypropoxy) propanol 44.57
    mesitylene 4.12
    ε-caprolactone 33.94
    p-cymene 5.78
    epichlorohydrin 49.08
    1,1,1-trichloroethane 10.57
    2-aminoethanol 3.13
    morpholine-4-carbaldehyde 41.62
    sulfolane 33.6
    2,2,4-trimethylpentane 0.95
    2-methyltetrahydrofuran 41.05
    n-hexyl acetate 36.18
    isooctane 0.61
    2-(2-butoxyethoxy)ethanol 63.29
    sec-butyl acetate 10.52
    tert-butyl acetate 16.87
    decalin 1.24
    glycerin 3.44
    diglyme 104.13
    acrylic acid 4.83
    isopropyl myristate 12.85
    n-butyric acid 15.54
    acetyl acetate 6.95
    di(2-ethylhexyl) phthalate 17.5
    ethyl propionate 10.05
    nitromethane 14.22
    1,2-diethoxyethane 40.67
    benzonitrile 8.95
    trioctyl phosphate 11.58
    1-bromopropane 10.58
    gamma-valerolactone 63.24
    n-decanol 12.96
    triethyl phosphate 9.82
    4-methyl-2-pentanol 6.54
    propionitrile 3.98
    vinylene carbonate 11.81
    1,1,2-trichlorotrifluoroethane 28.87
    DMS 11.51
    cumene 5.69
    2-octanol 11.57
    2-hexanone 21.59
    octyl acetate 18.03
    limonene 8.1
    1,2-dimethoxyethane 62.5
    ethyl orthosilicate 12.64
    tributyl phosphate 11.45
    diacetone alcohol 21.78
    N,N-dimethylaniline 16.81
    acrylonitrile 4.03
    aniline 10.27
    1,3-propanediol 8.37
    bromobenzene 11.92
    dibromomethane 17.71
    1,1,2,2-tetrachloroethane 31.53
    2-methyl-cyclohexyl acetate 21.96
    tetrabutyl urea 16.73
    diisobutyl methanol 7.08
    2-phenylethanol 22.18
    styrene 7.29
    dioctyl adipate 21.52
    dimethyl sulfate 7.78
    ethyl butyrate 12.71
    methyl lactate 6.19
    butyl lactate 21.78
    diethyl carbonate 7.25
    propanediol butyl ether 30.07
    triethyl orthoformate 17.15
    p-tert-butyltoluene 5.73
    methyl 4-tert-butylbenzoate 32.62
    morpholine 55.91
    tert-butylamine 4.18
    n-dodecanol 7.91
    dimethoxymethane 27.53
    ethylene carbonate 10.13
    cyrene 36.46
    2-ethoxyethyl acetate 41.86
    2-ethylhexyl acetate 18.16
    1,2,4-trichlorobenzene 15.06
    4-methylpyridine 21.45
    dibutyl ether 17.17
    2,6-dimethyl-4-heptanol 7.08
    DEF 17.65
    dimethyl isosorbide 65.85
    tetrachloroethylene 18.18
    eugenol 33.32
    triacetin 31.28
    span 80 36.8
    1,4-butanediol 4.39
    1,1-dichloroethane 8.95
    2-methyl-1-pentanol 21.46
    methyl formate 5.0
    2-methyl-1-butanol 15.42
    n-decane 1.39
    butyronitrile 6.45
    3,7-dimethyl-1-octanol 16.36
    1-chlorooctane 8.07
    1-chlorotetradecane 2.36
    n-nonane 1.08
    undecane 0.84
    tert-butylcyclohexane 1.28
    cyclooctane 0.58
    cyclopentanol 8.28
    tetrahydropyran 43.14
    tert-amyl methyl ether 15.43
    2,5,8-trioxanonane 68.63
    1-hexene 4.51
    2-isopropoxyethanol 30.09
    2,2,2-trifluoroethanol 2.74
    methyl butyrate 14.31

    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