Beta-Zeacarotene

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  • Identifiers

    CAS number
    514-90-9

    Molecular formula
    C40H58

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.12%
    Balsamic 56.46%
    Floral 50.73%
    Sweet 42.13%
    Oily 38.65%
    Tropical 32.57%
    Green 31.88%
    Fruity 29.37%
    Waxy 29.02%
    Sandalwood 26.19%

     

    Flavor
    Balsam 52.27%
    Balsamic 36.67%
    Wood 30.3%
    Oriental 27.64%
    Citrus 26.68%
    Sweet 25.13%
    Spicy 24.67%
    Herbal 23.43%
    Diterpene 23.15%
    Low 22.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.5

    pKa est.
    -5.76 (strong acid)

    Molecular weight
    538.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    569°C

    Flash point

    • 165.59 ˚C est.

  • Synonyms

    • beta-Zeacarotene
    • 7',8'-dihydro-beta,psi-carotene
    • 7',8'-dihydro-gamma-carotene
    • 514-90-9
    • CHEBI:27533
    • 2-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,3,3-trimethylcyclohexene
    • 2-((1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl)-1,3,3-trimethylcyclohexene
    • RefChem:119514
    • 7',8'-Dihydro-b,y-carotene
    • b-Zeacarotene
    • Carotene X
    • SCHEMBL2840862
    • DTXSID001045344
    • LMPR01070259
    • C05434
    • Q15410298
    • 2-((1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaen-1-yl)-1,3,3-trimethylcyclohex-1-ene
    • 514-90-9

  • Applications

    Beta-Zeacarotene (CAS 514-90-9) is a carotenoid pigment and potential intermediate in carotenoid synthesis. In cosmetics and personal care, it is considered as a yellow pigment for makeup and skincare products. In coatings and inks, it can function as a colorant and help stabilize color. In plastics and polymers, it may be used as a pigment in the material. In food processing, it may be evaluated as a colorant under regulatory approvals and applicable limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.35
    methanol 0.32
    isopropanol 0.11
    water 0.0
    ethyl acetate 3.83
    n-propanol 0.53
    acetone 0.8
    n-butanol 0.84
    acetonitrile 0.16
    DMF 1.36
    toluene 11.12
    isobutanol 0.37
    1,4-dioxane 5.04
    methyl acetate 1.4
    THF 18.43
    2-butanone 3.02
    n-pentanol 1.16
    sec-butanol 0.46
    n-hexane 2.15
    ethylene glycol 0.01
    NMP 9.15
    cyclohexane 2.72
    DMSO 0.8
    n-butyl acetate 8.65
    n-octanol 1.03
    chloroform 20.74
    n-propyl acetate 4.75
    acetic acid 0.42
    dichloromethane 17.5
    cyclohexanone 9.44
    propylene glycol 0.03
    isopropyl acetate 3.91
    DMAc 7.01
    2-ethoxyethanol 1.48
    isopentanol 0.89
    n-heptane 2.87
    ethyl formate 0.96
    1,2-dichloroethane 6.8
    n-hexanol 1.52
    2-methoxyethanol 0.78
    isobutyl acetate 5.17
    tetrachloromethane 2.9
    n-pentyl acetate 7.09
    transcutol 14.15
    n-heptanol 1.37
    ethylbenzene 8.45
    MIBK 3.74
    2-propoxyethanol 3.04
    tert-butanol 0.22
    MTBE 3.69
    2-butoxyethanol 3.19
    propionic acid 0.47
    o-xylene 6.31
    formic acid 0.1
    diethyl ether 4.46
    m-xylene 7.18
    p-xylene 6.88
    chlorobenzene 8.54
    dimethyl carbonate 0.97
    n-octane 0.7
    formamide 0.14
    cyclopentanone 7.82
    2-pentanone 3.61
    anisole 11.32
    cyclopentyl methyl ether 13.7
    gamma-butyrolactone 6.2
    1-methoxy-2-propanol 0.87
    pyridine 8.37
    3-pentanone 4.95
    furfural 5.59
    n-dodecane 0.3
    diethylene glycol 0.34
    diisopropyl ether 2.12
    tert-amyl alcohol 0.94
    acetylacetone 3.52
    n-hexadecane 0.37
    acetophenone 8.72
    methyl propionate 2.89
    isopentyl acetate 11.3
    trichloroethylene 16.97
    n-nonanol 1.58
    cyclohexanol 1.5
    benzyl alcohol 2.11
    2-ethylhexanol 3.28
    isooctanol 1.83
    dipropyl ether 13.54
    1,2-dichlorobenzene 10.7
    ethyl lactate 1.1
    propylene carbonate 4.16
    n-methylformamide 0.37
    2-pentanol 0.55
    n-pentane 0.94
    1-propoxy-2-propanol 3.58
    1-methoxy-2-propyl acetate 10.26
    2-(2-methoxypropoxy) propanol 7.57
    mesitylene 4.33
    ε-caprolactone 11.55
    p-cymene 6.27
    epichlorohydrin 10.55
    1,1,1-trichloroethane 7.35
    2-aminoethanol 0.05
    morpholine-4-carbaldehyde 6.57
    sulfolane 7.8
    2,2,4-trimethylpentane 1.55
    2-methyltetrahydrofuran 15.11
    n-hexyl acetate 7.29
    isooctane 0.65
    2-(2-butoxyethoxy)ethanol 6.43
    sec-butyl acetate 7.33
    tert-butyl acetate 7.66
    decalin 2.88
    glycerin 0.06
    diglyme 18.16
    acrylic acid 0.32
    isopropyl myristate 4.47
    n-butyric acid 1.8
    acetyl acetate 2.47
    di(2-ethylhexyl) phthalate 4.0
    ethyl propionate 6.37
    nitromethane 0.78
    1,2-diethoxyethane 12.8
    benzonitrile 1.68
    trioctyl phosphate 1.84
    1-bromopropane 8.5
    gamma-valerolactone 11.85
    n-decanol 1.0
    triethyl phosphate 8.96
    4-methyl-2-pentanol 0.74
    propionitrile 0.51
    vinylene carbonate 3.55
    1,1,2-trichlorotrifluoroethane 3.94
    DMS 3.01
    cumene 5.62
    2-octanol 0.92
    2-hexanone 5.96
    octyl acetate 4.03
    limonene 9.14
    1,2-dimethoxyethane 6.99
    ethyl orthosilicate 12.68
    tributyl phosphate 2.66
    diacetone alcohol 2.64
    N,N-dimethylaniline 11.12
    acrylonitrile 0.41
    aniline 2.71
    1,3-propanediol 0.17
    bromobenzene 14.46
    dibromomethane 12.04
    1,1,2,2-tetrachloroethane 14.13
    2-methyl-cyclohexyl acetate 17.14
    tetrabutyl urea 4.33
    diisobutyl methanol 2.39
    2-phenylethanol 3.45
    styrene 7.3
    dioctyl adipate 8.2
    dimethyl sulfate 1.93
    ethyl butyrate 15.2
    methyl lactate 0.51
    butyl lactate 2.81
    diethyl carbonate 6.49
    propanediol butyl ether 1.12
    triethyl orthoformate 17.81
    p-tert-butyltoluene 6.0
    methyl 4-tert-butylbenzoate 13.05
    morpholine 5.45
    tert-butylamine 0.24
    n-dodecanol 0.68
    dimethoxymethane 2.65
    ethylene carbonate 2.83
    cyrene 6.87
    2-ethoxyethyl acetate 9.31
    2-ethylhexyl acetate 15.01
    1,2,4-trichlorobenzene 12.23
    4-methylpyridine 8.37
    dibutyl ether 7.16
    2,6-dimethyl-4-heptanol 2.39
    DEF 5.48
    dimethyl isosorbide 24.1
    tetrachloroethylene 8.19
    eugenol 5.67
    triacetin 7.93
    span 80 5.3
    1,4-butanediol 0.07
    1,1-dichloroethane 4.02
    2-methyl-1-pentanol 2.26
    methyl formate 0.34
    2-methyl-1-butanol 1.24
    n-decane 0.82
    butyronitrile 0.89
    3,7-dimethyl-1-octanol 1.86
    1-chlorooctane 3.08
    1-chlorotetradecane 0.99
    n-nonane 0.71
    undecane 0.46
    tert-butylcyclohexane 2.74
    cyclooctane 1.74
    cyclopentanol 0.86
    tetrahydropyran 11.8
    tert-amyl methyl ether 7.74
    2,5,8-trioxanonane 13.08
    1-hexene 4.83
    2-isopropoxyethanol 1.57
    2,2,2-trifluoroethanol 0.16
    methyl butyrate 6.7

    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