5,5',6,6'-Tetrahydro-3,6:3',6'-diepoxy-beta,beta-carotene-5,5'-diol

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  • Identifiers

    CAS number
    136624-30-1

    Molecular formula
    C40H56O4

    SMILES
    CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.22%
    Fruity 43.99%
    Floral 40.63%
    Balsamic 35.78%
    Sweet 35.47%
    Sandalwood 30.94%
    Berry 29.41%
    Tropical 29.09%
    Powdery 27.89%
    Fresh 26.09%

     

    Flavor
    Bitter 26.15%
    Balsam 23.94%
    Oriental 22.65%
    Wood 20.8%
    Ocimene 19.73%
    Herbal 19.71%
    Mouldy 19.69%
    Low 19.59%
    Diterpene 19.47%
    Heather 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    6.65 (neutral)

    Molecular weight
    600.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    352°C

    Flash point

    • 269.44 ˚C est.

  • Synonyms

    • DTXSID201123172
    • 5,5',6,6'-Tetrahydro-3,6:3',6'-diepoxy-beta,beta-carotene-5,5'-diol
    • (3S,3a(2)S,5R,5a(2)R,6R,6a(2)R)-3,6:3a(2),6a(2)-Diepoxy-5,5a(2),6,6a(2)-tetrahydro-5,5a(2)-dihydroxy-beta,beta-carotene
    • 136624-30-1
    • 136624-30-1

  • Applications

    5,5',6,6'-Tetrahydro-3,6:3',6'-diepoxy-beta,beta-carotene-5,5'-diol (CAS 136624-30-1) is a carotenoid-derived compound bearing epoxy and diol functionalities, primarily encountered as a reactive intermediate in specialty chemical syntheses. In real-world applications, it is typically considered for use as a pigment/colorant in cosmetics and personal care formulations; as a colorant and reactive component in coatings, paints, and epoxy- or UV-curable inks; as a precursor or crosslinking component in polymer and epoxy resin systems to tailor color and crosslink density; and as an industrial intermediate for the synthesis of epoxy-functional carotenoid derivatives used in specialty polymers and materials. Its actual use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.8
    methanol 0.84
    isopropanol 0.17
    water 0.0
    ethyl acetate 1.81
    n-propanol 0.93
    acetone 1.16
    n-butanol 0.89
    acetonitrile 0.57
    DMF 3.84
    toluene 2.02
    isobutanol 0.5
    1,4-dioxane 4.21
    methyl acetate 1.34
    THF 12.67
    2-butanone 2.33
    n-pentanol 1.56
    sec-butanol 0.43
    n-hexane 0.18
    ethylene glycol 0.05
    NMP 16.18
    cyclohexane 0.12
    DMSO 1.72
    n-butyl acetate 2.22
    n-octanol 1.26
    chloroform 16.76
    n-propyl acetate 2.54
    acetic acid 1.65
    dichloromethane 12.03
    cyclohexanone 4.9
    propylene glycol 0.12
    isopropyl acetate 1.36
    DMAc 9.2
    2-ethoxyethanol 3.77
    isopentanol 0.73
    n-heptane 0.19
    ethyl formate 1.2
    1,2-dichloroethane 3.04
    n-hexanol 1.32
    2-methoxyethanol 2.14
    isobutyl acetate 2.12
    tetrachloromethane 1.3
    n-pentyl acetate 3.66
    transcutol 9.68
    n-heptanol 1.75
    ethylbenzene 1.76
    MIBK 1.66
    2-propoxyethanol 5.94
    tert-butanol 0.18
    MTBE 0.87
    2-butoxyethanol 6.24
    propionic acid 1.13
    o-xylene 1.16
    formic acid 0.79
    diethyl ether 1.36
    m-xylene 1.34
    p-xylene 1.82
    chlorobenzene 3.44
    dimethyl carbonate 1.26
    n-octane 0.07
    formamide 0.99
    cyclopentanone 7.12
    2-pentanone 2.08
    anisole 4.94
    cyclopentyl methyl ether 4.17
    gamma-butyrolactone 8.18
    1-methoxy-2-propanol 1.87
    pyridine 8.12
    3-pentanone 2.09
    furfural 9.11
    n-dodecane 0.05
    diethylene glycol 1.23
    diisopropyl ether 0.37
    tert-amyl alcohol 0.51
    acetylacetone 2.16
    n-hexadecane 0.06
    acetophenone 4.98
    methyl propionate 2.21
    isopentyl acetate 2.36
    trichloroethylene 11.59
    n-nonanol 1.63
    cyclohexanol 0.67
    benzyl alcohol 2.65
    2-ethylhexanol 1.34
    isooctanol 1.53
    dipropyl ether 2.34
    1,2-dichlorobenzene 4.0
    ethyl lactate 1.45
    propylene carbonate 3.65
    n-methylformamide 1.63
    2-pentanol 0.39
    n-pentane 0.09
    1-propoxy-2-propanol 3.58
    1-methoxy-2-propyl acetate 3.74
    2-(2-methoxypropoxy) propanol 5.63
    mesitylene 0.64
    ε-caprolactone 6.88
    p-cymene 1.0
    epichlorohydrin 11.37
    1,1,1-trichloroethane 2.63
    2-aminoethanol 0.31
    morpholine-4-carbaldehyde 11.58
    sulfolane 9.08
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 5.62
    n-hexyl acetate 4.38
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 6.65
    sec-butyl acetate 2.0
    tert-butyl acetate 1.89
    decalin 0.24
    glycerin 0.29
    diglyme 12.53
    acrylic acid 1.15
    isopropyl myristate 1.25
    n-butyric acid 2.0
    acetyl acetate 1.33
    di(2-ethylhexyl) phthalate 2.37
    ethyl propionate 2.67
    nitromethane 2.98
    1,2-diethoxyethane 3.24
    benzonitrile 2.18
    trioctyl phosphate 1.29
    1-bromopropane 2.16
    gamma-valerolactone 15.67
    n-decanol 0.88
    triethyl phosphate 2.02
    4-methyl-2-pentanol 0.43
    propionitrile 0.86
    vinylene carbonate 4.32
    1,1,2-trichlorotrifluoroethane 6.96
    DMS 1.92
    cumene 1.22
    2-octanol 0.79
    2-hexanone 3.26
    octyl acetate 1.85
    limonene 1.12
    1,2-dimethoxyethane 6.26
    ethyl orthosilicate 2.42
    tributyl phosphate 1.3
    diacetone alcohol 1.79
    N,N-dimethylaniline 3.74
    acrylonitrile 1.24
    aniline 1.71
    1,3-propanediol 0.5
    bromobenzene 4.33
    dibromomethane 6.35
    1,1,2,2-tetrachloroethane 6.95
    2-methyl-cyclohexyl acetate 3.97
    tetrabutyl urea 2.22
    diisobutyl methanol 0.52
    2-phenylethanol 2.9
    styrene 1.9
    dioctyl adipate 2.82
    dimethyl sulfate 2.58
    ethyl butyrate 2.9
    methyl lactate 1.05
    butyl lactate 2.72
    diethyl carbonate 1.62
    propanediol butyl ether 2.59
    triethyl orthoformate 3.38
    p-tert-butyltoluene 0.89
    methyl 4-tert-butylbenzoate 6.01
    morpholine 5.83
    tert-butylamine 0.13
    n-dodecanol 0.47
    dimethoxymethane 3.66
    ethylene carbonate 2.76
    cyrene 8.03
    2-ethoxyethyl acetate 5.58
    2-ethylhexyl acetate 2.46
    1,2,4-trichlorobenzene 5.28
    4-methylpyridine 5.16
    dibutyl ether 1.44
    2,6-dimethyl-4-heptanol 0.52
    DEF 3.63
    dimethyl isosorbide 12.03
    tetrachloroethylene 4.57
    eugenol 6.19
    triacetin 4.53
    span 80 4.46
    1,4-butanediol 0.34
    1,1-dichloroethane 1.83
    2-methyl-1-pentanol 1.65
    methyl formate 1.21
    2-methyl-1-butanol 0.94
    n-decane 0.14
    butyronitrile 0.96
    3,7-dimethyl-1-octanol 1.09
    1-chlorooctane 0.86
    1-chlorotetradecane 0.22
    n-nonane 0.11
    undecane 0.08
    tert-butylcyclohexane 0.22
    cyclooctane 0.09
    cyclopentanol 0.84
    tetrahydropyran 3.73
    tert-amyl methyl ether 1.49
    2,5,8-trioxanonane 7.74
    1-hexene 0.85
    2-isopropoxyethanol 2.88
    2,2,2-trifluoroethanol 0.75
    methyl butyrate 3.14

    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