Chlorophyll A

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  • Identifiers

    CAS number
    479-61-8

    Molecular formula
    C55H72MgN4O5

    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.[Mg+2]

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 33.47%
    Floral 30.74%
    Fruity 28.87%
    Woody 27.44%
    Fresh 27.23%
    Animal 26.19%
    Dry 25.11%
    Fatty 23.75%
    Musk 23.64%
    Amber 21.3%

     

    Flavor
    Bitter 64.78%
    Bland 26.21%
    Odorless 23.03%
    Herbal 21.84%
    Cedarleaf 20.32%
    Parsley 19.62%
    Lovage 19.2%
    Heather 19.13%
    Broom 18.87%
    Genet 18.47%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -46.45 (strong acid)

    Molecular weight
    893.5 g/mol

    Melting point expt.

    • 117 - 120 °C

    Flash point

    • -104.76 ˚C est.

  • Synonyms

    • chlorophyll a
    • 479-61-8
    • C05306
    • CHEBI:18230
    • DTXSID90889346
    • Magnesium, ((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN23,kappaN24,kappaN25,kappaN26)-, (SP-4-2)-
    • Magnesium, (3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, (SP-4-2-(3S-(3alpha(2E,7S*,11S*),4beta,21beta)))-
    • RefChem:125482
    • DTXCID501028608
    • 207-536-6
    • (2S)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-((4-hydroxyphenyl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)-N-((1S)-5-amino-1-((2-amino-2-oxo-ethyl)carbamoyl)pentyl)pyrrolidine-2-carboxamide;(2S)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-((4-hydroxyphenyl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)-N-((1S)-1-((2-amino-2-oxo-ethyl)carbamoyl)-4-guanidino-butyl)pyrrolidine-2-carboxamide
    • YF5Q9EJC8Y
    • Chlorophyll a (Technical Grade)
    • magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-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
    • MFCD00079050
    • Magnesium;methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-(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
    • Chlorophyll a, from spinach
    • Chlorophyll a, analytical standard
    • MSK156783
    • AKOS025311474
    • Chlorophyll a, from Anacystis nidulans algae
    • 479C618
    • Chlorophyll A, United States Pharmacopeia (USP) Reference Standard
    • 42617-16-3
    • 479-61-8

  • Applications

    Chlorophyll A (CAS 479-61-8) is used primarily as a natural colorant in foods and beverages to impart a green hue; in cosmetics and personal care as a natural colorant for skincare and makeup products; in coatings, inks, and plastics to provide a green pigment for finishes, printing, and plastic formulations; and in polymer-based material systems as a natural green pigment with ongoing research interest for colorization and material-development applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.4
    methanol 24.73
    isopropanol 13.76
    water 0.04
    ethyl acetate 83.44
    n-propanol 23.65
    acetone 52.63
    n-butanol 21.81
    acetonitrile 18.21
    DMF 119.86
    toluene 40.45
    isobutanol 17.68
    1,4-dioxane 66.18
    methyl acetate 93.22
    THF 135.63
    2-butanone 96.22
    n-pentanol 20.67
    sec-butanol 22.14
    n-hexane 0.99
    ethylene glycol 4.35
    NMP 332.76
    cyclohexane 1.4
    DMSO 45.03
    n-butyl acetate 34.37
    n-octanol 5.15
    chloroform 571.78
    n-propyl acetate 52.34
    acetic acid 160.08
    dichloromethane 385.79
    cyclohexanone 143.23
    propylene glycol 11.19
    isopropyl acetate 43.84
    DMAc 281.94
    2-ethoxyethanol 52.79
    isopentanol 17.92
    n-heptane 0.62
    ethyl formate 45.63
    1,2-dichloroethane 128.27
    n-hexanol 11.61
    2-methoxyethanol 63.05
    isobutyl acetate 28.93
    tetrachloromethane 43.38
    n-pentyl acetate 37.99
    transcutol 73.59
    n-heptanol 8.33
    ethylbenzene 14.56
    MIBK 28.36
    2-propoxyethanol 57.18
    tert-butanol 11.9
    MTBE 17.29
    2-butoxyethanol 40.34
    propionic acid 84.87
    o-xylene 19.34
    formic acid 49.41
    diethyl ether 19.49
    m-xylene 18.97
    p-xylene 21.98
    chlorobenzene 89.14
    dimethyl carbonate 75.44
    n-octane 0.3
    formamide 49.52
    cyclopentanone 184.55
    2-pentanone 60.87
    anisole 38.82
    cyclopentyl methyl ether 48.81
    gamma-butyrolactone 255.42
    1-methoxy-2-propanol 57.47
    pyridine 152.22
    3-pentanone 60.42
    furfural 206.27
    n-dodecane 0.22
    diethylene glycol 29.05
    diisopropyl ether 4.77
    tert-amyl alcohol 19.36
    acetylacetone 85.43
    n-hexadecane 0.27
    acetophenone 65.1
    methyl propionate 101.13
    isopentyl acetate 28.91
    trichloroethylene 563.7
    n-nonanol 5.92
    cyclohexanol 25.75
    benzyl alcohol 49.21
    2-ethylhexanol 7.51
    isooctanol 7.72
    dipropyl ether 9.68
    1,2-dichlorobenzene 88.29
    ethyl lactate 36.51
    propylene carbonate 136.79
    n-methylformamide 66.01
    2-pentanol 14.99
    n-pentane 0.92
    1-propoxy-2-propanol 34.08
    1-methoxy-2-propyl acetate 57.62
    2-(2-methoxypropoxy) propanol 32.82
    mesitylene 7.72
    ε-caprolactone 173.59
    p-cymene 5.57
    epichlorohydrin 279.82
    1,1,1-trichloroethane 145.05
    2-aminoethanol 13.33
    morpholine-4-carbaldehyde 212.6
    sulfolane 218.2
    2,2,4-trimethylpentane 0.91
    2-methyltetrahydrofuran 80.02
    n-hexyl acetate 30.31
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 34.79
    sec-butyl acetate 35.41
    tert-butyl acetate 33.14
    decalin 1.13
    glycerin 21.04
    diglyme 76.98
    acrylic acid 102.84
    isopropyl myristate 7.4
    n-butyric acid 103.79
    acetyl acetate 76.82
    di(2-ethylhexyl) phthalate 16.71
    ethyl propionate 49.55
    nitromethane 195.9
    1,2-diethoxyethane 23.89
    benzonitrile 39.55
    trioctyl phosphate 8.35
    1-bromopropane 49.2
    gamma-valerolactone 360.33
    n-decanol 3.55
    triethyl phosphate 18.38
    4-methyl-2-pentanol 8.36
    propionitrile 24.68
    vinylene carbonate 171.69
    1,1,2-trichlorotrifluoroethane 312.24
    DMS 57.36
    cumene 8.08
    2-octanol 5.6
    2-hexanone 50.0
    octyl acetate 12.2
    limonene 6.76
    1,2-dimethoxyethane 64.89
    ethyl orthosilicate 16.42
    tributyl phosphate 11.06
    diacetone alcohol 46.9
    N,N-dimethylaniline 24.4
    acrylonitrile 44.66
    aniline 53.78
    1,3-propanediol 24.32
    bromobenzene 100.96
    dibromomethane 170.16
    1,1,2,2-tetrachloroethane 373.28
    2-methyl-cyclohexyl acetate 28.9
    tetrabutyl urea 14.6
    diisobutyl methanol 3.67
    2-phenylethanol 34.36
    styrene 20.39
    dioctyl adipate 17.89
    dimethyl sulfate 118.01
    ethyl butyrate 27.6
    methyl lactate 61.59
    butyl lactate 36.75
    diethyl carbonate 20.86
    propanediol butyl ether 25.15
    triethyl orthoformate 22.67
    p-tert-butyltoluene 4.98
    methyl 4-tert-butylbenzoate 38.74
    morpholine 93.51
    tert-butylamine 4.67
    n-dodecanol 2.18
    dimethoxymethane 72.94
    ethylene carbonate 119.79
    cyrene 75.3
    2-ethoxyethyl acetate 72.35
    2-ethylhexyl acetate 24.87
    1,2,4-trichlorobenzene 142.5
    4-methylpyridine 126.74
    dibutyl ether 6.28
    2,6-dimethyl-4-heptanol 3.67
    DEF 87.98
    dimethyl isosorbide 64.26
    tetrachloroethylene 215.08
    eugenol 42.4
    triacetin 59.17
    span 80 30.9
    1,4-butanediol 12.44
    1,1-dichloroethane 134.29
    2-methyl-1-pentanol 20.54
    methyl formate 56.07
    2-methyl-1-butanol 22.94
    n-decane 0.47
    butyronitrile 21.08
    3,7-dimethyl-1-octanol 5.4
    1-chlorooctane 3.76
    1-chlorotetradecane 1.07
    n-nonane 0.39
    undecane 0.31
    tert-butylcyclohexane 0.92
    cyclooctane 0.57
    cyclopentanol 35.09
    tetrahydropyran 54.03
    tert-amyl methyl ether 18.9
    2,5,8-trioxanonane 42.27
    1-hexene 5.96
    2-isopropoxyethanol 37.99
    2,2,2-trifluoroethanol 67.42
    methyl butyrate 65.1

    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