(3S,9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-beta,beta-caroten-3-ol

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  • Identifiers

    CAS number
    73745-06-9

    Molecular formula
    C40H56O3

    SMILES
    C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C1C=C2C(C[C@@H](CC2(O1)C)O)(C)C)/C=C/C=C(\C)/C3C=C4C(CCCC4(O3)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 58.2%
    Fruity 57.07%
    Floral 43.93%
    Sweet 42.96%
    Berry 41.71%
    Tropical 36.58%
    Powdery 33.37%
    Balsamic 32.08%
    Sandalwood 30.0%
    Raspberry 27.78%

     

    Flavor
    Herbal 26.14%
    Balsam 25.48%
    Wood 23.95%
    Oriental 22.45%
    Woody 22.43%
    Spicy 21.09%
    Spice 20.76%
    Low 20.03%
    Diterpene 19.82%
    Basil 19.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.2

    pKa est.
    5.77 (weak acid)

    Molecular weight
    584.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    777°C

    Flash point

    • 239.13 ˚C est.

  • Synonyms

    • DTXSID701185505
    • (3S)-5,8:5a(2),8a(2)-Diepoxy-5,5a(2),8,8a(2)-tetrahydro-I(2),I(2)-caroten-3-ol
    • (3S,9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-beta,beta-caroten-3-ol
    • 73745-06-9
    • 73745-06-9

  • Applications

    (3S,9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-beta,beta-caroten-3-ol; CAS number: 73745-06-9; this carotenoid-derived compound is primarily used as a reactive intermediate and pigment across several industries. In coatings and inks, its epoxy-functional structure enables covalent crosslinking and provides color for durable film formation. It is also evaluated as an intermediate for carotenoid-derived compounds used in cosmetics and personal care, delivering color and potential UV-stable pigment properties. In polymers and plastics, it can act as an epoxy-functional monomer or crosslinkable additive to improve color and processability. Additionally, it may be explored as an intermediate in the synthesis of carotenoid-based materials for cosmetics and related applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.85
    methanol 1.57
    isopropanol 0.46
    water 0.0
    ethyl acetate 5.48
    n-propanol 2.83
    acetone 2.92
    n-butanol 3.12
    acetonitrile 1.38
    DMF 6.74
    toluene 8.8
    isobutanol 1.73
    1,4-dioxane 8.53
    methyl acetate 3.52
    THF 25.59
    2-butanone 7.46
    n-pentanol 4.69
    sec-butanol 1.44
    n-hexane 0.86
    ethylene glycol 0.08
    NMP 31.23
    cyclohexane 0.73
    DMSO 3.26
    n-butyl acetate 9.0
    n-octanol 3.67
    chloroform 48.96
    n-propyl acetate 8.05
    acetic acid 3.18
    dichloromethane 34.49
    cyclohexanone 16.9
    propylene glycol 0.21
    isopropyl acetate 4.5
    DMAc 19.08
    2-ethoxyethanol 6.97
    isopentanol 2.67
    n-heptane 0.87
    ethyl formate 3.36
    1,2-dichloroethane 10.54
    n-hexanol 4.87
    2-methoxyethanol 4.04
    isobutyl acetate 7.36
    tetrachloromethane 4.09
    n-pentyl acetate 12.06
    transcutol 22.19
    n-heptanol 5.14
    ethylbenzene 6.22
    MIBK 5.76
    2-propoxyethanol 14.37
    tert-butanol 0.49
    MTBE 2.6
    2-butoxyethanol 13.94
    propionic acid 2.75
    o-xylene 4.39
    formic acid 1.16
    diethyl ether 4.63
    m-xylene 5.01
    p-xylene 6.21
    chlorobenzene 12.89
    dimethyl carbonate 2.84
    n-octane 0.28
    formamide 1.4
    cyclopentanone 18.77
    2-pentanone 6.97
    anisole 12.36
    cyclopentyl methyl ether 12.95
    gamma-butyrolactone 18.54
    1-methoxy-2-propanol 3.83
    pyridine 21.1
    3-pentanone 7.65
    furfural 19.04
    n-dodecane 0.19
    diethylene glycol 2.45
    diisopropyl ether 1.41
    tert-amyl alcohol 1.57
    acetylacetone 6.43
    n-hexadecane 0.23
    acetophenone 13.65
    methyl propionate 6.36
    isopentyl acetate 9.36
    trichloroethylene 35.26
    n-nonanol 4.83
    cyclohexanol 2.52
    benzyl alcohol 6.91
    2-ethylhexanol 5.31
    isooctanol 4.79
    dipropyl ether 8.54
    1,2-dichlorobenzene 13.98
    ethyl lactate 3.99
    propylene carbonate 9.71
    n-methylformamide 3.04
    2-pentanol 1.46
    n-pentane 0.44
    1-propoxy-2-propanol 9.5
    1-methoxy-2-propyl acetate 12.51
    2-(2-methoxypropoxy) propanol 14.45
    mesitylene 2.45
    ε-caprolactone 21.49
    p-cymene 3.75
    epichlorohydrin 25.93
    1,1,1-trichloroethane 8.42
    2-aminoethanol 0.57
    morpholine-4-carbaldehyde 21.76
    sulfolane 20.89
    2,2,4-trimethylpentane 0.45
    2-methyltetrahydrofuran 15.48
    n-hexyl acetate 13.28
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 15.09
    sec-butyl acetate 6.4
    tert-butyl acetate 5.85
    decalin 0.95
    glycerin 0.48
    diglyme 28.73
    acrylic acid 2.36
    isopropyl myristate 4.49
    n-butyric acid 6.06
    acetyl acetate 3.98
    di(2-ethylhexyl) phthalate 7.51
    ethyl propionate 8.44
    nitromethane 5.36
    1,2-diethoxyethane 9.51
    benzonitrile 6.34
    trioctyl phosphate 4.42
    1-bromopropane 9.59
    gamma-valerolactone 34.64
    n-decanol 2.84
    triethyl phosphate 6.46
    4-methyl-2-pentanol 1.5
    propionitrile 2.67
    vinylene carbonate 12.12
    1,1,2-trichlorotrifluoroethane 14.77
    DMS 5.77
    cumene 4.18
    2-octanol 2.52
    2-hexanone 9.99
    octyl acetate 6.16
    limonene 4.65
    1,2-dimethoxyethane 12.96
    ethyl orthosilicate 7.48
    tributyl phosphate 4.73
    diacetone alcohol 5.07
    N,N-dimethylaniline 9.67
    acrylonitrile 2.99
    aniline 5.97
    1,3-propanediol 1.17
    bromobenzene 17.44
    dibromomethane 20.14
    1,1,2,2-tetrachloroethane 23.33
    2-methyl-cyclohexyl acetate 12.83
    tetrabutyl urea 7.74
    diisobutyl methanol 1.94
    2-phenylethanol 9.35
    styrene 6.78
    dioctyl adipate 9.26
    dimethyl sulfate 5.83
    ethyl butyrate 10.47
    methyl lactate 2.63
    butyl lactate 8.63
    diethyl carbonate 5.75
    propanediol butyl ether 5.43
    triethyl orthoformate 11.14
    p-tert-butyltoluene 3.13
    methyl 4-tert-butylbenzoate 15.26
    morpholine 12.55
    tert-butylamine 0.39
    n-dodecanol 1.66
    dimethoxymethane 7.12
    ethylene carbonate 8.27
    cyrene 16.91
    2-ethoxyethyl acetate 15.8
    2-ethylhexyl acetate 10.58
    1,2,4-trichlorobenzene 17.82
    4-methylpyridine 15.88
    dibutyl ether 5.19
    2,6-dimethyl-4-heptanol 1.94
    DEF 10.69
    dimethyl isosorbide 26.99
    tetrachloroethylene 14.41
    eugenol 15.56
    triacetin 12.67
    span 80 11.82
    1,4-butanediol 0.65
    1,1-dichloroethane 6.6
    2-methyl-1-pentanol 5.43
    methyl formate 2.21
    2-methyl-1-butanol 3.52
    n-decane 0.53
    butyronitrile 3.49
    3,7-dimethyl-1-octanol 3.59
    1-chlorooctane 3.27
    1-chlorotetradecane 0.87
    n-nonane 0.41
    undecane 0.29
    tert-butylcyclohexane 0.76
    cyclooctane 0.46
    cyclopentanol 2.54
    tetrahydropyran 12.28
    tert-amyl methyl ether 4.45
    2,5,8-trioxanonane 17.63
    1-hexene 3.8
    2-isopropoxyethanol 6.13
    2,2,2-trifluoroethanol 1.26
    methyl butyrate 9.9

    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