Sargachromanol B

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  • Identifiers

    CAS number
    856414-51-2

    Molecular formula
    C22H32O3

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.52%
    Sweet 44.63%
    Woody 43.83%
    Fruity 42.55%
    Powdery 36.57%
    Balsamic 31.09%
    Spicy 30.53%
    Fresh 29.23%
    Musk 27.58%
    Dry 27.05%

     

    Flavor
    Woody 52.25%
    Floral 51.37%
    Spicy 35.47%
    Herbal 35.05%
    Flower 31.14%
    Wood 30.0%
    Spice 29.1%
    Balsam 27.7%
    Fresh 27.02%
    Sweet 23.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    10.46 (weak base)

    Molecular weight
    344.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    599°C

    Flash point

    • 193.61 ˚C est.

  • Synonyms

    • Sargachromanol B
    • Sargasol B
    • Sargachromanol B, (+)-
    • UNII-4EFP3OGS5Q
    • 4EFP3OGS5Q
    • 856414-51-2
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-((3E,7E)-9-hydroxy-4,8-dimethyl-3,7-nonadien-1-yl)-2,8-dimethyl-, (2R)-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-((3E,7E)-9-hydroxy-4,8-dimethyl-3,7-nonadienyl)-2,8-dimethyl-, (2R)-
    • DTXSID00234888
    • (2R)-2-((3E,7E)-9-hydroxy-4,8-dimethylnona-3,7-dienyl)-2,8-dimethyl-3,4-dihydrochromen-6-ol
    • (2R)-2-[(3E,7E)-9-hydroxy-4,8-dimethylnona-3,7-dienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
    • RefChem:181402
    • SARGACHROMANOL B [INCI]
    • DTXCID30157379
    • CHEMBL465200
    • BDBM50483672
    • (2R)-2-[(3E,7E)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-6-ol
    • Q27259492
    • 856414-51-2

  • Applications

    Sargachromanol B (CAS 856414-51-2) may be evaluated for several practical applications in industry, including as an antioxidant and stabilizer in cosmetics and personal care formulations, as a stabilizing antioxidant additive for polymer and plastic systems, as an additive for coatings and inks to improve durability, as an industrial synthesis intermediate or building block for chromanone derivatives, and as a fragrance-related odorant component in perfumery subject to local regulatory approvals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.97
    methanol 72.86
    isopropanol 63.84
    water 0.03
    ethyl acetate 102.86
    n-propanol 103.16
    acetone 55.56
    n-butanol 119.21
    acetonitrile 24.83
    DMF 44.74
    toluene 64.42
    isobutanol 64.72
    1,4-dioxane 261.84
    methyl acetate 73.28
    THF 404.42
    2-butanone 111.71
    n-pentanol 98.09
    sec-butanol 77.77
    n-hexane 2.75
    ethylene glycol 2.61
    NMP 35.83
    cyclohexane 6.61
    DMSO 80.69
    n-butyl acetate 99.43
    n-octanol 46.66
    chloroform 296.62
    n-propyl acetate 83.74
    acetic acid 38.69
    dichloromethane 212.42
    cyclohexanone 128.73
    propylene glycol 10.68
    isopropyl acetate 72.59
    DMAc 144.56
    2-ethoxyethanol 171.6
    isopentanol 100.33
    n-heptane 3.87
    ethyl formate 40.64
    1,2-dichloroethane 105.92
    n-hexanol 89.18
    2-methoxyethanol 138.22
    isobutyl acetate 72.93
    tetrachloromethane 19.94
    n-pentyl acetate 88.62
    transcutol 637.69
    n-heptanol 52.74
    ethylbenzene 33.9
    MIBK 77.97
    2-propoxyethanol 190.55
    tert-butanol 78.66
    MTBE 128.87
    2-butoxyethanol 122.25
    propionic acid 31.89
    o-xylene 33.6
    formic acid 9.47
    diethyl ether 127.19
    m-xylene 40.74
    p-xylene 35.8
    chlorobenzene 64.33
    dimethyl carbonate 23.72
    n-octane 2.11
    formamide 18.05
    cyclopentanone 93.77
    2-pentanone 96.34
    anisole 100.86
    cyclopentyl methyl ether 103.96
    gamma-butyrolactone 79.15
    1-methoxy-2-propanol 128.35
    pyridine 110.62
    3-pentanone 67.64
    furfural 87.5
    n-dodecane 2.22
    diethylene glycol 71.74
    diisopropyl ether 27.12
    tert-amyl alcohol 76.9
    acetylacetone 80.68
    n-hexadecane 2.63
    acetophenone 74.96
    methyl propionate 64.85
    isopentyl acetate 111.65
    trichloroethylene 215.67
    n-nonanol 48.85
    cyclohexanol 62.33
    benzyl alcohol 70.91
    2-ethylhexanol 56.8
    isooctanol 49.36
    dipropyl ether 63.55
    1,2-dichlorobenzene 57.66
    ethyl lactate 39.46
    propylene carbonate 50.82
    n-methylformamide 22.84
    2-pentanol 64.42
    n-pentane 2.63
    1-propoxy-2-propanol 127.93
    1-methoxy-2-propyl acetate 120.95
    2-(2-methoxypropoxy) propanol 123.9
    mesitylene 22.95
    ε-caprolactone 119.43
    p-cymene 24.76
    epichlorohydrin 185.48
    1,1,1-trichloroethane 80.86
    2-aminoethanol 17.04
    morpholine-4-carbaldehyde 123.55
    sulfolane 79.39
    2,2,4-trimethylpentane 4.2
    2-methyltetrahydrofuran 177.34
    n-hexyl acetate 112.08
    isooctane 3.23
    2-(2-butoxyethoxy)ethanol 187.67
    sec-butyl acetate 69.78
    tert-butyl acetate 88.83
    decalin 5.1
    glycerin 16.29
    diglyme 343.15
    acrylic acid 19.16
    isopropyl myristate 43.94
    n-butyric acid 85.41
    acetyl acetate 49.66
    di(2-ethylhexyl) phthalate 47.78
    ethyl propionate 65.62
    nitromethane 56.14
    1,2-diethoxyethane 206.49
    benzonitrile 56.14
    trioctyl phosphate 31.42
    1-bromopropane 74.79
    gamma-valerolactone 177.25
    n-decanol 34.56
    triethyl phosphate 41.87
    4-methyl-2-pentanol 45.44
    propionitrile 40.33
    vinylene carbonate 55.42
    1,1,2-trichlorotrifluoroethane 97.64
    DMS 57.22
    cumene 24.52
    2-octanol 34.04
    2-hexanone 90.83
    octyl acetate 55.07
    limonene 33.0
    1,2-dimethoxyethane 268.14
    ethyl orthosilicate 50.66
    tributyl phosphate 37.51
    diacetone alcohol 88.5
    N,N-dimethylaniline 59.12
    acrylonitrile 33.51
    aniline 59.86
    1,3-propanediol 53.41
    bromobenzene 72.11
    dibromomethane 119.78
    1,1,2,2-tetrachloroethane 177.93
    2-methyl-cyclohexyl acetate 79.64
    tetrabutyl urea 48.32
    diisobutyl methanol 30.82
    2-phenylethanol 83.81
    styrene 38.34
    dioctyl adipate 66.83
    dimethyl sulfate 30.75
    ethyl butyrate 72.11
    methyl lactate 26.93
    butyl lactate 64.67
    diethyl carbonate 46.63
    propanediol butyl ether 86.19
    triethyl orthoformate 72.47
    p-tert-butyltoluene 23.94
    methyl 4-tert-butylbenzoate 85.41
    morpholine 281.49
    tert-butylamine 40.27
    n-dodecanol 24.57
    dimethoxymethane 125.93
    ethylene carbonate 52.98
    cyrene 88.12
    2-ethoxyethyl acetate 141.44
    2-ethylhexyl acetate 88.68
    1,2,4-trichlorobenzene 70.06
    4-methylpyridine 109.26
    dibutyl ether 63.82
    2,6-dimethyl-4-heptanol 30.82
    DEF 76.17
    dimethyl isosorbide 182.2
    tetrachloroethylene 94.82
    eugenol 89.59
    triacetin 107.02
    span 80 92.27
    1,4-butanediol 23.87
    1,1-dichloroethane 88.1
    2-methyl-1-pentanol 93.98
    methyl formate 16.65
    2-methyl-1-butanol 91.2
    n-decane 4.54
    butyronitrile 59.33
    3,7-dimethyl-1-octanol 52.29
    1-chlorooctane 26.47
    1-chlorotetradecane 9.24
    n-nonane 3.62
    undecane 3.02
    tert-butylcyclohexane 5.36
    cyclooctane 2.58
    cyclopentanol 40.42
    tetrahydropyran 245.54
    tert-amyl methyl ether 83.23
    2,5,8-trioxanonane 224.12
    1-hexene 18.69
    2-isopropoxyethanol 133.88
    2,2,2-trifluoroethanol 10.42
    methyl butyrate 82.6

    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