Chlorophyll B

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  • Identifiers

    CAS number
    519-62-0

    Molecular formula
    C55H70MgN4O6

    SMILES
    CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C=O.[Mg+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.17%
    Fresh 27.64%
    Floral 25.72%
    Animal 24.6%
    Woody 24.35%
    Fruity 24.35%
    Fatty 23.86%
    Dry 23.39%
    Milky 19.61%
    Musk 19.49%

     

    Flavor
    Bitter 70.6%
    Bland 25.95%
    Odorless 24.1%
    Herbal 20.4%
    Cedarleaf 20.24%
    Parsley 19.51%
    Lovage 19.25%
    Heather 19.13%
    Broom 18.89%
    Genet 18.51%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -46.38 (strong acid)

    Molecular weight
    907.5 g/mol

    Flash point

    • -95.68 ˚C est.

  • Synonyms

    • CHLOROPHYLL B
    • 519-62-0
    • DTXSID70889349
    • magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
    • magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-(3-oxo-3-((E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy)propyl)-23,25-diaza-7,24-diazanidahexacyclo(18.2.1.15,8.110,13.115,18.02,6)hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
    • RefChem:918491
    • CHEBI:27888
    • DTXCID201028611
    • Magnesium, (3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, (SP-4-2-(3S-(3alpha(2E,7S*,11S*),4beta,21beta)))-
    • 208-272-4
    • 5712ZB110R
    • Magnesium, ((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN23,kappaN24,kappaN25,kappaN26)-, (SP-4-2)-
    • Chlorophyll b (Technical Grade)
    • MFCD00079053
    • CHLOROPHYLL-B
    • Phorbine, magnesium deriv
    • Chlorophyll b, analytical standard
    • AKOS025311416
    • Chlorophyll b from spinach, ~95% (HPLC)
    • G77037
    • 519C620
    • Chlorophyll b from spinach, >=90% (HPLC), <=0.5% Chlorophyll a
    • (Sp-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl(3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-n23,n24,n25,n26]-magnesium
    • [(3S,4S,21R)-9-Ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-23,25-didehydrophorbine-23,25-diido-kappa~2~N~23~,N~25~]magnesium
    • 519-62-0

  • Applications

    Chlorophyll B (CAS 519-62-0) is used as a natural green pigment and colorant in cosmetics and personal care products; it is commonly evaluated for use as a natural colorant in food processing where permitted by regulation; it serves as a pigment in coatings and inks to impart green coloration; it can function as a pigment additive in plastics and other polymers to color molded or extruded parts; and it has applications in research and analytical laboratories as a pigment or dye for analytical purposes. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.21
    methanol 29.77
    isopropanol 12.6
    water 0.05
    ethyl acetate 72.57
    n-propanol 21.1
    acetone 55.18
    n-butanol 18.22
    acetonitrile 20.97
    DMF 135.1
    toluene 31.43
    isobutanol 15.2
    1,4-dioxane 55.21
    methyl acetate 92.39
    THF 114.67
    2-butanone 88.52
    n-pentanol 17.26
    sec-butanol 18.48
    n-hexane 0.7
    ethylene glycol 5.64
    NMP 343.8
    cyclohexane 1.0
    DMSO 54.05
    n-butyl acetate 25.37
    n-octanol 3.9
    chloroform 530.79
    n-propyl acetate 43.06
    acetic acid 195.73
    dichloromethane 369.22
    cyclohexanone 133.21
    propylene glycol 13.29
    isopropyl acetate 35.32
    DMAc 280.02
    2-ethoxyethanol 48.34
    isopentanol 14.5
    n-heptane 0.43
    ethyl formate 47.37
    1,2-dichloroethane 114.09
    n-hexanol 8.86
    2-methoxyethanol 62.07
    isobutyl acetate 22.94
    tetrachloromethane 38.81
    n-pentyl acetate 28.06
    transcutol 55.68
    n-heptanol 6.22
    ethylbenzene 10.76
    MIBK 23.55
    2-propoxyethanol 46.56
    tert-butanol 10.66
    MTBE 12.58
    2-butoxyethanol 31.73
    propionic acid 92.51
    o-xylene 15.0
    formic acid 65.69
    diethyl ether 14.1
    m-xylene 14.08
    p-xylene 16.44
    chlorobenzene 74.43
    dimethyl carbonate 74.7
    n-octane 0.21
    formamide 63.46
    cyclopentanone 179.35
    2-pentanone 53.79
    anisole 29.27
    cyclopentyl methyl ether 37.42
    gamma-butyrolactone 260.27
    1-methoxy-2-propanol 53.87
    pyridine 137.23
    3-pentanone 50.81
    furfural 203.8
    n-dodecane 0.16
    diethylene glycol 27.98
    diisopropyl ether 3.32
    tert-amyl alcohol 16.13
    acetylacetone 80.58
    n-hexadecane 0.2
    acetophenone 54.6
    methyl propionate 93.01
    isopentyl acetate 21.08
    trichloroethylene 529.28
    n-nonanol 4.36
    cyclohexanol 21.63
    benzyl alcohol 43.99
    2-ethylhexanol 5.45
    isooctanol 5.75
    dipropyl ether 6.74
    1,2-dichlorobenzene 74.07
    ethyl lactate 33.26
    propylene carbonate 132.12
    n-methylformamide 81.29
    2-pentanol 12.26
    n-pentane 0.65
    1-propoxy-2-propanol 26.49
    1-methoxy-2-propyl acetate 43.07
    2-(2-methoxypropoxy) propanol 25.11
    mesitylene 5.61
    ε-caprolactone 149.68
    p-cymene 3.95
    epichlorohydrin 260.73
    1,1,1-trichloroethane 131.31
    2-aminoethanol 15.12
    morpholine-4-carbaldehyde 201.94
    sulfolane 235.6
    2,2,4-trimethylpentane 0.6
    2-methyltetrahydrofuran 63.66
    n-hexyl acetate 22.2
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 26.16
    sec-butyl acetate 27.28
    tert-butyl acetate 26.23
    decalin 0.76
    glycerin 25.34
    diglyme 59.2
    acrylic acid 120.27
    isopropyl myristate 5.41
    n-butyric acid 97.52
    acetyl acetate 71.16
    di(2-ethylhexyl) phthalate 13.14
    ethyl propionate 39.5
    nitromethane 235.55
    1,2-diethoxyethane 16.36
    benzonitrile 38.0
    trioctyl phosphate 6.43
    1-bromopropane 39.72
    gamma-valerolactone 331.61
    n-decanol 2.61
    triethyl phosphate 14.44
    4-methyl-2-pentanol 6.67
    propionitrile 25.54
    vinylene carbonate 169.9
    1,1,2-trichlorotrifluoroethane 311.81
    DMS 46.42
    cumene 5.87
    2-octanol 4.16
    2-hexanone 41.38
    octyl acetate 9.17
    limonene 4.72
    1,2-dimethoxyethane 55.4
    ethyl orthosilicate 12.39
    tributyl phosphate 8.65
    diacetone alcohol 41.98
    N,N-dimethylaniline 18.26
    acrylonitrile 51.02
    aniline 46.73
    1,3-propanediol 25.29
    bromobenzene 81.06
    dibromomethane 154.82
    1,1,2,2-tetrachloroethane 338.74
    2-methyl-cyclohexyl acetate 21.37
    tetrabutyl urea 11.41
    diisobutyl methanol 2.63
    2-phenylethanol 27.03
    styrene 15.57
    dioctyl adipate 13.42
    dimethyl sulfate 127.2
    ethyl butyrate 20.73
    methyl lactate 63.38
    butyl lactate 30.69
    diethyl carbonate 16.4
    propanediol butyl ether 22.24
    triethyl orthoformate 16.14
    p-tert-butyltoluene 3.53
    methyl 4-tert-butylbenzoate 30.18
    morpholine 79.69
    tert-butylamine 3.91
    n-dodecanol 1.62
    dimethoxymethane 69.1
    ethylene carbonate 114.45
    cyrene 68.43
    2-ethoxyethyl acetate 54.25
    2-ethylhexyl acetate 17.58
    1,2,4-trichlorobenzene 122.84
    4-methylpyridine 111.64
    dibutyl ether 4.4
    2,6-dimethyl-4-heptanol 2.63
    DEF 75.57
    dimethyl isosorbide 49.27
    tetrachloroethylene 196.51
    eugenol 33.34
    triacetin 47.06
    span 80 24.6
    1,4-butanediol 13.75
    1,1-dichloroethane 124.59
    2-methyl-1-pentanol 16.32
    methyl formate 69.65
    2-methyl-1-butanol 18.44
    n-decane 0.33
    butyronitrile 20.12
    3,7-dimethyl-1-octanol 3.87
    1-chlorooctane 2.69
    1-chlorotetradecane 0.78
    n-nonane 0.27
    undecane 0.22
    tert-butylcyclohexane 0.6
    cyclooctane 0.39
    cyclopentanol 33.26
    tetrahydropyran 41.81
    tert-amyl methyl ether 13.37
    2,5,8-trioxanonane 32.42
    1-hexene 4.23
    2-isopropoxyethanol 32.53
    2,2,2-trifluoroethanol 85.13
    methyl butyrate 54.2

    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