Bacterioruberin

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  • Identifiers

    CAS number
    32719-43-0

    Molecular formula
    C50H76O4

    SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\[C@@H](C(O)(C)C)CCC(O)(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H](C(O)(C)C)CCC(O)(C)C)\C)\C

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  • Odor profile

    Fragrance
    Woody 58.43%
    Floral 56.33%
    Balsamic 51.97%
    Sweet 41.79%
    Sandalwood 32.12%
    Fresh 30.51%
    Tropical 29.16%
    Oily 27.84%
    Powdery 27.32%
    Waxy 26.77%

     

    Flavor
    Balsam 37.36%
    Wood 27.26%
    Balsamic 26.0%
    Sweet 25.93%
    Citrus 25.4%
    Oriental 24.58%
    Ocimene 21.61%
    Mouldy 21.23%
    Diterpene 21.07%
    Woody 20.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.7

    pKa est.
    10.41 (weak base)

    Molecular weight
    741.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    1265°C

    Flash point

    • 331.94 ˚C est.

  • Synonyms

    • Bacterioruberin
    • 32719-43-0
    • (5S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
    • CHEBI:49388
    • DTXSID201316959
    • RefChem:116293
    • DTXCID101746779
    • (2S,2'S)-2,2'-Bis-(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetrahydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
    • psi,psi-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-2,2'-bis(3-hydroxy-3-methylbutyl)-, (2S,2'S)-
    • SCHEMBL29678063
    • C22349
    • Q15478206
    • (2S,2'S)-2,2'-bis(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-gamma,gamma-carotene-1,1'-diol
    • (2S,2'S)-2,2'-Bis(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-y,y-carotene-1,1'-diol
    • (5S,,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
    • 32719-43-0

  • Applications

    Chemical name: Bacterioruberin, CAS 32719-43-0, is a natural carotenoid pigment with a deep red color, commonly used as a natural colorant and antioxidant in cosmetics and personal care; used as a pigment in coatings and inks; employed as a colorant and potential stabilizer in polymers and plastics; and is being evaluated for industrial manufacturing applications to improve optical stability and colorfastness of colorant systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.03
    methanol 2.29
    isopropanol 0.22
    water 0.01
    ethyl acetate 1.61
    n-propanol 0.97
    acetone 1.27
    n-butanol 0.67
    acetonitrile 0.39
    DMF 8.47
    toluene 1.4
    isobutanol 0.43
    1,4-dioxane 4.93
    methyl acetate 1.57
    THF 16.61
    2-butanone 2.37
    n-pentanol 1.09
    sec-butanol 0.48
    n-hexane 0.18
    ethylene glycol 0.1
    NMP 21.54
    cyclohexane 0.11
    DMSO 3.91
    n-butyl acetate 2.02
    n-octanol 1.14
    chloroform 6.52
    n-propyl acetate 3.02
    acetic acid 1.82
    dichloromethane 5.69
    cyclohexanone 4.26
    propylene glycol 0.28
    isopropyl acetate 1.07
    DMAc 16.68
    2-ethoxyethanol 4.77
    isopentanol 0.4
    n-heptane 0.16
    ethyl formate 1.46
    1,2-dichloroethane 1.94
    n-hexanol 0.67
    2-methoxyethanol 3.63
    isobutyl acetate 2.12
    tetrachloromethane 0.56
    n-pentyl acetate 3.4
    transcutol 19.31
    n-heptanol 1.08
    ethylbenzene 1.47
    MIBK 1.11
    2-propoxyethanol 5.32
    tert-butanol 0.22
    MTBE 1.04
    2-butoxyethanol 5.57
    propionic acid 1.08
    o-xylene 0.85
    formic acid 1.12
    diethyl ether 1.14
    m-xylene 0.92
    p-xylene 1.45
    chlorobenzene 1.93
    dimethyl carbonate 1.69
    n-octane 0.09
    formamide 1.47
    cyclopentanone 7.79
    2-pentanone 1.67
    anisole 5.62
    cyclopentyl methyl ether 4.46
    gamma-butyrolactone 9.76
    1-methoxy-2-propanol 2.85
    pyridine 6.24
    3-pentanone 1.82
    furfural 9.6
    n-dodecane 0.05
    diethylene glycol 1.24
    diisopropyl ether 0.25
    tert-amyl alcohol 0.56
    acetylacetone 2.28
    n-hexadecane 0.06
    acetophenone 5.27
    methyl propionate 2.39
    isopentyl acetate 1.83
    trichloroethylene 6.31
    n-nonanol 1.38
    cyclohexanol 0.54
    benzyl alcohol 2.52
    2-ethylhexanol 0.76
    isooctanol 0.96
    dipropyl ether 2.62
    1,2-dichlorobenzene 2.25
    ethyl lactate 1.84
    propylene carbonate 3.89
    n-methylformamide 2.69
    2-pentanol 0.3
    n-pentane 0.07
    1-propoxy-2-propanol 3.98
    1-methoxy-2-propyl acetate 4.39
    2-(2-methoxypropoxy) propanol 7.28
    mesitylene 0.44
    ε-caprolactone 6.87
    p-cymene 0.67
    epichlorohydrin 11.22
    1,1,1-trichloroethane 1.27
    2-aminoethanol 0.49
    morpholine-4-carbaldehyde 18.94
    sulfolane 14.56
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 5.95
    n-hexyl acetate 3.83
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 8.27
    sec-butyl acetate 2.04
    tert-butyl acetate 1.83
    decalin 0.18
    glycerin 0.58
    diglyme 18.73
    acrylic acid 1.14
    isopropyl myristate 1.1
    n-butyric acid 1.59
    acetyl acetate 0.96
    di(2-ethylhexyl) phthalate 1.75
    ethyl propionate 3.1
    nitromethane 3.63
    1,2-diethoxyethane 5.11
    benzonitrile 1.45
    trioctyl phosphate 0.9
    1-bromopropane 1.26
    gamma-valerolactone 20.07
    n-decanol 0.75
    triethyl phosphate 2.02
    4-methyl-2-pentanol 0.23
    propionitrile 0.63
    vinylene carbonate 3.91
    1,1,2-trichlorotrifluoroethane 7.65
    DMS 2.52
    cumene 0.97
    2-octanol 0.66
    2-hexanone 3.19
    octyl acetate 1.68
    limonene 0.78
    1,2-dimethoxyethane 11.26
    ethyl orthosilicate 2.36
    tributyl phosphate 1.07
    diacetone alcohol 1.89
    N,N-dimethylaniline 5.11
    acrylonitrile 0.93
    aniline 1.34
    1,3-propanediol 0.59
    bromobenzene 2.08
    dibromomethane 2.79
    1,1,2,2-tetrachloroethane 4.55
    2-methyl-cyclohexyl acetate 3.75
    tetrabutyl urea 2.11
    diisobutyl methanol 0.32
    2-phenylethanol 2.06
    styrene 1.56
    dioctyl adipate 2.97
    dimethyl sulfate 3.59
    ethyl butyrate 3.15
    methyl lactate 1.5
    butyl lactate 3.06
    diethyl carbonate 1.62
    propanediol butyl ether 4.01
    triethyl orthoformate 3.82
    p-tert-butyltoluene 0.66
    methyl 4-tert-butylbenzoate 6.09
    morpholine 7.91
    tert-butylamine 0.13
    n-dodecanol 0.42
    dimethoxymethane 5.97
    ethylene carbonate 2.46
    cyrene 10.43
    2-ethoxyethyl acetate 6.45
    2-ethylhexyl acetate 1.99
    1,2,4-trichlorobenzene 3.04
    4-methylpyridine 4.54
    dibutyl ether 2.03
    2,6-dimethyl-4-heptanol 0.32
    DEF 4.04
    dimethyl isosorbide 19.24
    tetrachloroethylene 2.85
    eugenol 6.17
    triacetin 6.16
    span 80 5.6
    1,4-butanediol 0.35
    1,1-dichloroethane 1.02
    2-methyl-1-pentanol 0.99
    methyl formate 2.15
    2-methyl-1-butanol 0.67
    n-decane 0.15
    butyronitrile 0.65
    3,7-dimethyl-1-octanol 0.85
    1-chlorooctane 0.8
    1-chlorotetradecane 0.19
    n-nonane 0.13
    undecane 0.08
    tert-butylcyclohexane 0.18
    cyclooctane 0.07
    cyclopentanol 0.82
    tetrahydropyran 3.79
    tert-amyl methyl ether 1.74
    2,5,8-trioxanonane 11.47
    1-hexene 0.81
    2-isopropoxyethanol 3.01
    2,2,2-trifluoroethanol 0.6
    methyl butyrate 4.08

    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