9-Cis-Beta-Carotene

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  • Identifiers

    CAS number
    13312-52-2

    Molecular formula
    C40H56

    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)\C=C\C2=C(CCCC2(C)C)C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.75%
    Balsamic 51.82%
    Sweet 44.8%
    Floral 44.3%
    Oily 36.7%
    Fruity 36.13%
    Tropical 34.61%
    Berry 29.83%
    Powdery 29.19%
    Sandalwood 28.58%

     

    Flavor
    Balsam 44.05%
    Balsamic 30.31%
    Oriental 25.93%
    Wood 23.71%
    Diterpene 21.28%
    Low 21.04%
    Opoponax 20.23%
    Spicy 19.31%
    Woody 19.15%
    Nitrile 19.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.5

    pKa est.
    8.51 (weak base)

    Molecular weight
    536.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    612°C

    Flash point

    • 279.93 ˚C est.

  • Synonyms

    • 9-cis-beta-carotene
    • (9Z)-beta-Carotene
    • beta-Carotene, (9Z)-
    • beta,beta-Carotene, neo-U
    • beta,beta-Carotene, 9-cis-
    • UNII-3K5NFW97PV
    • 3K5NFW97PV
    • 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
    • 9-CIS-.BETA.-CAROTENE
    • (9Z)-.BETA.-CAROTENE
    • DTXSID70920483
    • .BETA.-CAROTENE, NEO U-
    • (9CIS)-BETA,BETA-CAROTENE
    • .BETA.-CAROTENE, (9Z)-
    • 9-cis-b-Carotene
    • (9Z)-.BETA.,.BETA.-CAROTENE
    • (9CIS)-.BETA.,.BETA.-CAROTENE
    • .BETA.,.BETA.-CAROTENE, 9-CIS-
    • 2,2'-((1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENE-1,18-DIYL)BIS(1,3,3-TRIMETHYLCYCLOHEX-1-ENE)
    • (9Z)-BETA,BETA-CAROTENE
    • 1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohexene
    • 9-cis-I2-Carotene
    • (9Z)-I2-Carotene
    • RefChem:107804
    • 9-cis-I2,I2-Carotene
    • (9Z)-I2,I2-Carotene
    • BETA-CAROTENE, NEO U-
    • DTXCID101349391
    • 13312-52-2
    • 9-cis-|A-Carotene
    • 9-Cis-beta,beta-Carotene
    • CHEBI:67188
    • neo-beta-carotene U
    • 9Z-beta-carotene
    • Neo-?-carotene U
    • 9-cis-?-Carotene
    • (9Z)-ss-Carotene
    • 9-Cis Beta-Carotene
    • 9-cis-??-Carotene
    • 9'-cis-beta-carotene
    • (9Z)-?,?-Carotene
    • Betacarotene EP Impurity D
    • NEO-.BETA.-CAROTENE U
    • orb1708076
    • SCHEMBL26362434
    • AKOS040740678
    • FC19821
    • 9-CIS-.BETA.,.BETA.-CAROTENE
    • DA-50040
    • HY-136234
    • (9Z)-beta-Carotene, >=90.0% (HPLC)
    • CS-0120904
    • C20484
    • Q27135678
    • 13312-52-2

  • Applications

    9-Cis-Beta-Carotene, CAS 13312-52-2, is a carotenoid isomer of beta-carotene primarily used as a natural pigment in commercial applications. In cosmetics and personal care, it serves as a colorant providing a stable orange-yellow hue for moisturizers, lip products, and makeup formulations, often formulated with stabilized forms. In food processing and nutraceuticals, it is evaluated as a natural colorant or precursor for food colorings and dietary supplements, subject to regulatory approvals and usage limits. In animal nutrition and feed, it may be used as a carotenoid pigment to color animal products such as eggs and meat, subject to regulatory authorization. In polymers and coatings, it can function as a colorant for plastics and varnishes to impart a natural orange-yellow tint compatible with various resin systems. In analytical and research contexts, it may be used as a reference standard or purity-check component in carotenoid analysis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.05
    methanol 0.04
    isopropanol 0.01
    water 0.0
    ethyl acetate 0.72
    n-propanol 0.08
    acetone 0.17
    n-butanol 0.12
    acetonitrile 0.04
    DMF 0.41
    toluene 4.0
    isobutanol 0.06
    1,4-dioxane 1.1
    methyl acetate 0.31
    THF 5.16
    2-butanone 0.61
    n-pentanol 0.18
    sec-butanol 0.06
    n-hexane 0.47
    ethylene glycol 0.0
    NMP 4.15
    cyclohexane 0.7
    DMSO 0.18
    n-butyl acetate 1.72
    n-octanol 0.14
    chloroform 5.69
    n-propyl acetate 1.01
    acetic acid 0.08
    dichloromethane 4.92
    cyclohexanone 2.27
    propylene glycol 0.0
    isopropyl acetate 0.71
    DMAc 1.93
    2-ethoxyethanol 0.24
    isopentanol 0.11
    n-heptane 0.62
    ethyl formate 0.21
    1,2-dichloroethane 1.63
    n-hexanol 0.24
    2-methoxyethanol 0.12
    isobutyl acetate 1.09
    tetrachloromethane 0.84
    n-pentyl acetate 1.4
    transcutol 1.66
    n-heptanol 0.21
    ethylbenzene 2.7
    MIBK 0.76
    2-propoxyethanol 0.54
    tert-butanol 0.03
    MTBE 0.59
    2-butoxyethanol 0.51
    propionic acid 0.09
    o-xylene 2.15
    formic acid 0.02
    diethyl ether 0.74
    m-xylene 2.51
    p-xylene 2.29
    chlorobenzene 2.87
    dimethyl carbonate 0.28
    n-octane 0.16
    formamide 0.04
    cyclopentanone 2.6
    2-pentanone 0.77
    anisole 3.3
    cyclopentyl methyl ether 4.05
    gamma-butyrolactone 2.1
    1-methoxy-2-propanol 0.14
    pyridine 2.86
    3-pentanone 1.16
    furfural 1.9
    n-dodecane 0.06
    diethylene glycol 0.06
    diisopropyl ether 0.41
    tert-amyl alcohol 0.12
    acetylacetone 0.77
    n-hexadecane 0.08
    acetophenone 2.48
    methyl propionate 0.68
    isopentyl acetate 2.23
    trichloroethylene 5.18
    n-nonanol 0.23
    cyclohexanol 0.26
    benzyl alcohol 0.52
    2-ethylhexanol 0.59
    isooctanol 0.28
    dipropyl ether 2.76
    1,2-dichlorobenzene 3.79
    ethyl lactate 0.23
    propylene carbonate 1.22
    n-methylformamide 0.1
    2-pentanol 0.08
    n-pentane 0.19
    1-propoxy-2-propanol 0.56
    1-methoxy-2-propyl acetate 2.16
    2-(2-methoxypropoxy) propanol 1.38
    mesitylene 1.38
    ε-caprolactone 2.84
    p-cymene 1.64
    epichlorohydrin 3.26
    1,1,1-trichloroethane 1.97
    2-aminoethanol 0.01
    morpholine-4-carbaldehyde 1.89
    sulfolane 2.77
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 3.84
    n-hexyl acetate 1.22
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 0.93
    sec-butyl acetate 1.48
    tert-butyl acetate 1.44
    decalin 0.77
    glycerin 0.01
    diglyme 2.93
    acrylic acid 0.07
    isopropyl myristate 0.82
    n-butyric acid 0.32
    acetyl acetate 0.53
    di(2-ethylhexyl) phthalate 0.88
    ethyl propionate 1.45
    nitromethane 0.19
    1,2-diethoxyethane 2.01
    benzonitrile 0.49
    trioctyl phosphate 0.38
    1-bromopropane 2.05
    gamma-valerolactone 3.26
    n-decanol 0.15
    triethyl phosphate 2.31
    4-methyl-2-pentanol 0.11
    propionitrile 0.12
    vinylene carbonate 1.07
    1,1,2-trichlorotrifluoroethane 0.95
    DMS 0.79
    cumene 1.69
    2-octanol 0.13
    2-hexanone 1.33
    octyl acetate 0.73
    limonene 2.3
    1,2-dimethoxyethane 1.41
    ethyl orthosilicate 3.19
    tributyl phosphate 0.57
    diacetone alcohol 0.47
    N,N-dimethylaniline 3.24
    acrylonitrile 0.11
    aniline 0.75
    1,3-propanediol 0.02
    bromobenzene 5.49
    dibromomethane 3.14
    1,1,2,2-tetrachloroethane 3.7
    2-methyl-cyclohexyl acetate 4.09
    tetrabutyl urea 0.97
    diisobutyl methanol 0.41
    2-phenylethanol 0.74
    styrene 2.42
    dioctyl adipate 1.73
    dimethyl sulfate 0.67
    ethyl butyrate 3.21
    methyl lactate 0.11
    butyl lactate 0.51
    diethyl carbonate 1.45
    propanediol butyl ether 0.16
    triethyl orthoformate 3.94
    p-tert-butyltoluene 1.61
    methyl 4-tert-butylbenzoate 3.17
    morpholine 1.18
    tert-butylamine 0.03
    n-dodecanol 0.11
    dimethoxymethane 0.67
    ethylene carbonate 0.75
    cyrene 1.92
    2-ethoxyethyl acetate 1.74
    2-ethylhexyl acetate 3.21
    1,2,4-trichlorobenzene 4.19
    4-methylpyridine 2.64
    dibutyl ether 1.21
    2,6-dimethyl-4-heptanol 0.41
    DEF 1.31
    dimethyl isosorbide 6.26
    tetrachloroethylene 2.28
    eugenol 1.35
    triacetin 1.59
    span 80 0.89
    1,4-butanediol 0.01
    1,1-dichloroethane 0.91
    2-methyl-1-pentanol 0.33
    methyl formate 0.1
    2-methyl-1-butanol 0.18
    n-decane 0.17
    butyronitrile 0.18
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.56
    1-chlorotetradecane 0.19
    n-nonane 0.15
    undecane 0.1
    tert-butylcyclohexane 0.72
    cyclooctane 0.45
    cyclopentanol 0.18
    tetrahydropyran 2.53
    tert-amyl methyl ether 1.49
    2,5,8-trioxanonane 2.2
    1-hexene 1.08
    2-isopropoxyethanol 0.24
    2,2,2-trifluoroethanol 0.04
    methyl butyrate 1.48

    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