15,9'-Di-cis-phytofluene

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  • Identifiers

    CAS number
    72746-34-0

    Molecular formula
    C40H62

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.82%
    Balsamic 57.27%
    Woody 49.35%
    Green 41.01%
    Oily 39.94%
    Sweet 37.1%
    Waxy 35.68%
    Tropical 27.64%
    Herbal 27.61%
    Fresh 26.44%

     

    Flavor
    Balsam 53.57%
    Citrus 39.77%
    Balsamic 39.41%
    Sweet 38.91%
    Wood 36.95%
    Wax 27.69%
    Woody 27.37%
    Spicy 27.28%
    Oriental 27.06%
    Herbal 26.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.4

    pKa est.
    10.45 (weak base)

    Molecular weight
    542.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    523°C

    Flash point

    • 258.96 ˚C est.

  • Synonyms

    • 15,9'-di-cis-phytofluene
    • (15Z,9'Z)-di-cis-phytofluene
    • (9cis,15cis)-7,7',8,8',11',12'-hexahydro-psi,psi-carotene
    • (6E,10Z,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
    • 15,9'-dicis-Phytofluene
    • CHEBI:61990
    • DTXSID801207443
    • 72746-34-0
    • C19765
    • Q27131509
    • (9a(2)-cis,15-cis)-7,7a(2),8,8a(2),11,12-Hexahydro-I,I-carotene
    • 72746-34-0

  • Applications

    15,9'-Di-cis-phytofluene (CAS 72746-34-0) is a carotenoid isomer commonly viewed as an intermediate in carotenoid synthesis and a pigment source for certain applications. In cosmetics and personal care, it may be used as a colorant and pigment precursor in formulations to impart color to skin and hair care products. In coatings and inks, it can serve as a natural pigment to achieve the desired coloration in paints and printing inks. In polymers/plastics, it may be employed as a pigment additive in plastics and composites to provide color. Additionally, it is used as a reference standard in carotenoid analysis and related research in laboratories; application is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.13
    methanol 0.09
    isopropanol 0.07
    water 0.0
    ethyl acetate 3.03
    n-propanol 0.25
    acetone 0.54
    n-butanol 0.38
    acetonitrile 0.11
    DMF 0.82
    toluene 7.28
    isobutanol 0.2
    1,4-dioxane 3.45
    methyl acetate 1.07
    THF 14.12
    2-butanone 2.17
    n-pentanol 0.57
    sec-butanol 0.31
    n-hexane 2.22
    ethylene glycol 0.0
    NMP 6.58
    cyclohexane 2.8
    DMSO 0.6
    n-butyl acetate 6.24
    n-octanol 0.57
    chloroform 14.91
    n-propyl acetate 3.98
    acetic acid 0.25
    dichloromethane 11.75
    cyclohexanone 6.69
    propylene glycol 0.02
    isopropyl acetate 3.28
    DMAc 5.15
    2-ethoxyethanol 0.87
    isopentanol 0.44
    n-heptane 2.89
    ethyl formate 0.61
    1,2-dichloroethane 4.85
    n-hexanol 0.71
    2-methoxyethanol 0.4
    isobutyl acetate 3.85
    tetrachloromethane 2.4
    n-pentyl acetate 5.1
    transcutol 8.21
    n-heptanol 0.69
    ethylbenzene 6.9
    MIBK 2.65
    2-propoxyethanol 1.54
    tert-butanol 0.17
    MTBE 3.11
    2-butoxyethanol 1.72
    propionic acid 0.3
    o-xylene 5.1
    formic acid 0.04
    diethyl ether 2.82
    m-xylene 5.35
    p-xylene 6.02
    chlorobenzene 5.92
    dimethyl carbonate 0.68
    n-octane 0.73
    formamide 0.07
    cyclopentanone 5.93
    2-pentanone 2.58
    anisole 8.82
    cyclopentyl methyl ether 11.23
    gamma-butyrolactone 4.96
    1-methoxy-2-propanol 0.55
    pyridine 5.28
    3-pentanone 3.8
    furfural 3.7
    n-dodecane 0.3
    diethylene glycol 0.18
    diisopropyl ether 2.04
    tert-amyl alcohol 0.71
    acetylacetone 2.74
    n-hexadecane 0.37
    acetophenone 6.65
    methyl propionate 2.17
    isopentyl acetate 8.19
    trichloroethylene 12.67
    n-nonanol 0.93
    cyclohexanol 0.92
    benzyl alcohol 1.22
    2-ethylhexanol 1.98
    isooctanol 1.0
    dipropyl ether 11.55
    1,2-dichlorobenzene 7.97
    ethyl lactate 0.83
    propylene carbonate 3.44
    n-methylformamide 0.19
    2-pentanol 0.36
    n-pentane 0.74
    1-propoxy-2-propanol 2.3
    1-methoxy-2-propyl acetate 7.44
    2-(2-methoxypropoxy) propanol 5.0
    mesitylene 3.65
    ε-caprolactone 8.86
    p-cymene 5.5
    epichlorohydrin 8.43
    1,1,1-trichloroethane 7.39
    2-aminoethanol 0.02
    morpholine-4-carbaldehyde 4.32
    sulfolane 6.61
    2,2,4-trimethylpentane 1.63
    2-methyltetrahydrofuran 12.08
    n-hexyl acetate 4.64
    isooctane 0.67
    2-(2-butoxyethoxy)ethanol 3.6
    sec-butyl acetate 6.49
    tert-butyl acetate 7.02
    decalin 3.61
    glycerin 0.03
    diglyme 11.65
    acrylic acid 0.19
    isopropyl myristate 3.59
    n-butyric acid 1.12
    acetyl acetate 1.97
    di(2-ethylhexyl) phthalate 2.37
    ethyl propionate 5.77
    nitromethane 0.53
    1,2-diethoxyethane 9.71
    benzonitrile 1.15
    trioctyl phosphate 1.12
    1-bromopropane 6.42
    gamma-valerolactone 8.07
    n-decanol 0.6
    triethyl phosphate 8.63
    4-methyl-2-pentanol 0.46
    propionitrile 0.33
    vinylene carbonate 2.46
    1,1,2-trichlorotrifluoroethane 2.95
    DMS 2.36
    cumene 4.82
    2-octanol 0.57
    2-hexanone 4.6
    octyl acetate 2.85
    limonene 8.63
    1,2-dimethoxyethane 4.7
    ethyl orthosilicate 12.0
    tributyl phosphate 1.81
    diacetone alcohol 2.02
    N,N-dimethylaniline 8.91
    acrylonitrile 0.26
    aniline 1.64
    1,3-propanediol 0.08
    bromobenzene 11.18
    dibromomethane 8.27
    1,1,2,2-tetrachloroethane 11.7
    2-methyl-cyclohexyl acetate 14.01
    tetrabutyl urea 3.13
    diisobutyl methanol 1.92
    2-phenylethanol 1.73
    styrene 5.8
    dioctyl adipate 6.28
    dimethyl sulfate 1.54
    ethyl butyrate 13.27
    methyl lactate 0.36
    butyl lactate 1.9
    diethyl carbonate 5.67
    propanediol butyl ether 0.66
    triethyl orthoformate 16.97
    p-tert-butyltoluene 5.26
    methyl 4-tert-butylbenzoate 9.45
    morpholine 3.69
    tert-butylamine 0.19
    n-dodecanol 0.43
    dimethoxymethane 1.59
    ethylene carbonate 2.03
    cyrene 4.67
    2-ethoxyethyl acetate 5.97
    2-ethylhexyl acetate 11.29
    1,2,4-trichlorobenzene 9.03
    4-methylpyridine 5.49
    dibutyl ether 6.58
    2,6-dimethyl-4-heptanol 1.92
    DEF 4.04
    dimethyl isosorbide 18.99
    tetrachloroethylene 5.89
    eugenol 3.64
    triacetin 5.83
    span 80 3.18
    1,4-butanediol 0.04
    1,1-dichloroethane 3.34
    2-methyl-1-pentanol 1.18
    methyl formate 0.19
    2-methyl-1-butanol 0.61
    n-decane 0.83
    butyronitrile 0.54
    3,7-dimethyl-1-octanol 1.32
    1-chlorooctane 2.46
    1-chlorotetradecane 0.87
    n-nonane 0.73
    undecane 0.46
    tert-butylcyclohexane 3.34
    cyclooctane 2.04
    cyclopentanol 0.65
    tetrahydropyran 8.02
    tert-amyl methyl ether 7.26
    2,5,8-trioxanonane 8.71
    1-hexene 3.98
    2-isopropoxyethanol 1.0
    2,2,2-trifluoroethanol 0.11
    methyl butyrate 5.69

    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