3'-Hydroxy-4,5,7',8'-tetradehydro-5,8-dihydro-beta,beta-carotene-3,8-dione

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  • Identifiers

    CAS number
    119286-10-1

    Molecular formula
    C40H50O3

    SMILES
    CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)C=C2C(=CC(=O)CC2(C)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.81%
    Fruity 56.5%
    Floral 54.96%
    Sweet 51.61%
    Berry 41.48%
    Powdery 40.87%
    Tropical 35.72%
    Balsamic 32.6%
    Raspberry 31.79%
    Orris 31.62%

     

    Flavor
    Bitter 37.13%
    Oriental 22.35%
    Basil 19.8%
    Nitrile 19.55%
    Low 19.06%
    Heather 18.81%
    Ocimene 18.8%
    Diterpene 18.8%
    Broom 18.72%
    Genet 18.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    5.11 (weak acid)

    Molecular weight
    578.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1209°C

    Flash point

    • 295.98 ˚C est.

  • Synonyms

    • DTXSID001134282
    • 3'-Hydroxy-4,5,7',8'-tetradehydro-5,8-dihydro-beta,beta-carotene-3,8-dione
    • 119286-10-1
    • I(2),Imicro-Carotene, 6a(2),7,7a(2),8-tetradehydro-6a(2),8a(2)-dihydro-3-hydroxy-3a(2),8a(2)-dioxo-, (3R)-
    • 119286-10-1

  • Applications

    3'-Hydroxy-4,5,7',8'-tetradehydro-5,8-dihydro-beta,beta-carotene-3,8-dione (CAS 119286-10-1) is primarily regarded as a carotenoid pigment that can serve as a colorant in cosmetics and personal care; it is also commonly considered a colorant and potential intermediate in carotenoid synthesis, supporting applications in coatings and inks; in the plastics and polymer sector it may function as a pigment and light-stabilizing additive; it can be contemplated as a colorant in food processing subject to regulatory approval; and it is studied as an intermediate in carotenoid synthesis and related pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.16
    methanol 4.82
    isopropanol 0.23
    water 0.0
    ethyl acetate 1.42
    n-propanol 1.77
    acetone 1.79
    n-butanol 1.47
    acetonitrile 0.57
    DMF 8.61
    toluene 1.46
    isobutanol 0.75
    1,4-dioxane 3.6
    methyl acetate 1.54
    THF 14.6
    2-butanone 3.78
    n-pentanol 2.65
    sec-butanol 0.67
    n-hexane 0.22
    ethylene glycol 0.08
    NMP 20.52
    cyclohexane 0.1
    DMSO 4.71
    n-butyl acetate 2.67
    n-octanol 1.48
    chloroform 8.69
    n-propyl acetate 3.0
    acetic acid 1.94
    dichloromethane 8.85
    cyclohexanone 6.09
    propylene glycol 0.25
    isopropyl acetate 0.9
    DMAc 16.48
    2-ethoxyethanol 5.97
    isopentanol 0.99
    n-heptane 0.17
    ethyl formate 2.07
    1,2-dichloroethane 3.33
    n-hexanol 1.99
    2-methoxyethanol 4.08
    isobutyl acetate 2.36
    tetrachloromethane 0.72
    n-pentyl acetate 3.77
    transcutol 13.92
    n-heptanol 2.14
    ethylbenzene 1.58
    MIBK 1.67
    2-propoxyethanol 8.18
    tert-butanol 0.25
    MTBE 1.01
    2-butoxyethanol 7.35
    propionic acid 1.11
    o-xylene 0.81
    formic acid 1.35
    diethyl ether 1.31
    m-xylene 0.83
    p-xylene 1.55
    chlorobenzene 2.56
    dimethyl carbonate 1.22
    n-octane 0.08
    formamide 1.55
    cyclopentanone 8.17
    2-pentanone 2.34
    anisole 4.97
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 7.59
    1-methoxy-2-propanol 2.74
    pyridine 7.37
    3-pentanone 2.32
    furfural 10.56
    n-dodecane 0.05
    diethylene glycol 1.79
    diisopropyl ether 0.24
    tert-amyl alcohol 0.8
    acetylacetone 2.26
    n-hexadecane 0.05
    acetophenone 5.43
    methyl propionate 2.05
    isopentyl acetate 2.8
    trichloroethylene 8.9
    n-nonanol 1.85
    cyclohexanol 0.66
    benzyl alcohol 3.26
    2-ethylhexanol 1.65
    isooctanol 1.8
    dipropyl ether 2.49
    1,2-dichlorobenzene 2.82
    ethyl lactate 1.92
    propylene carbonate 3.39
    n-methylformamide 3.28
    2-pentanol 0.43
    n-pentane 0.09
    1-propoxy-2-propanol 4.44
    1-methoxy-2-propyl acetate 4.09
    2-(2-methoxypropoxy) propanol 7.62
    mesitylene 0.38
    ε-caprolactone 6.31
    p-cymene 0.83
    epichlorohydrin 12.62
    1,1,1-trichloroethane 1.67
    2-aminoethanol 0.63
    morpholine-4-carbaldehyde 13.68
    sulfolane 12.76
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 5.32
    n-hexyl acetate 4.22
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 8.28
    sec-butyl acetate 1.89
    tert-butyl acetate 1.5
    decalin 0.17
    glycerin 0.48
    diglyme 15.64
    acrylic acid 1.2
    isopropyl myristate 1.23
    n-butyric acid 1.95
    acetyl acetate 0.97
    di(2-ethylhexyl) phthalate 2.95
    ethyl propionate 2.64
    nitromethane 3.8
    1,2-diethoxyethane 4.37
    benzonitrile 2.18
    trioctyl phosphate 1.52
    1-bromopropane 2.21
    gamma-valerolactone 18.55
    n-decanol 1.07
    triethyl phosphate 2.1
    4-methyl-2-pentanol 0.41
    propionitrile 1.0
    vinylene carbonate 4.21
    1,1,2-trichlorotrifluoroethane 7.82
    DMS 1.86
    cumene 1.05
    2-octanol 0.97
    2-hexanone 4.83
    octyl acetate 2.03
    limonene 1.07
    1,2-dimethoxyethane 11.68
    ethyl orthosilicate 2.29
    tributyl phosphate 1.59
    diacetone alcohol 2.1
    N,N-dimethylaniline 4.12
    acrylonitrile 1.41
    aniline 1.44
    1,3-propanediol 0.8
    bromobenzene 2.66
    dibromomethane 4.49
    1,1,2,2-tetrachloroethane 6.16
    2-methyl-cyclohexyl acetate 4.44
    tetrabutyl urea 3.27
    diisobutyl methanol 0.54
    2-phenylethanol 3.79
    styrene 1.71
    dioctyl adipate 3.42
    dimethyl sulfate 2.52
    ethyl butyrate 3.22
    methyl lactate 1.25
    butyl lactate 3.39
    diethyl carbonate 1.86
    propanediol butyl ether 3.9
    triethyl orthoformate 3.37
    p-tert-butyltoluene 0.7
    methyl 4-tert-butylbenzoate 6.25
    morpholine 6.0
    tert-butylamine 0.17
    n-dodecanol 0.59
    dimethoxymethane 5.73
    ethylene carbonate 2.38
    cyrene 10.73
    2-ethoxyethyl acetate 6.07
    2-ethylhexyl acetate 2.81
    1,2,4-trichlorobenzene 3.62
    4-methylpyridine 5.08
    dibutyl ether 1.7
    2,6-dimethyl-4-heptanol 0.54
    DEF 4.39
    dimethyl isosorbide 13.98
    tetrachloroethylene 3.94
    eugenol 7.24
    triacetin 4.65
    span 80 5.53
    1,4-butanediol 0.57
    1,1-dichloroethane 1.38
    2-methyl-1-pentanol 2.65
    methyl formate 2.35
    2-methyl-1-butanol 1.47
    n-decane 0.12
    butyronitrile 1.23
    3,7-dimethyl-1-octanol 1.23
    1-chlorooctane 0.86
    1-chlorotetradecane 0.23
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.17
    cyclooctane 0.05
    cyclopentanol 0.78
    tetrahydropyran 3.59
    tert-amyl methyl ether 1.57
    2,5,8-trioxanonane 9.7
    1-hexene 1.29
    2-isopropoxyethanol 3.73
    2,2,2-trifluoroethanol 0.51
    methyl butyrate 4.17

    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