Indocyanine Green

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  • Identifiers

    CAS number
    3599-32-4

    Molecular formula
    C43H47N2NaO6S2

    SMILES
    CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 43.81%
    Fatty 25.53%
    Savory 24.45%
    Fresh 24.01%
    Meaty 21.3%
    Cooked 20.74%
    Fruity 19.35%
    Animal 18.5%
    Roasted 17.96%
    Woody 17.47%

     

    Flavor
    Bitter 77.05%
    Odorless 24.26%
    Nitrile 20.25%
    Bland 20.08%
    Oriental 19.0%
    Cedarleaf 18.33%
    Heather 17.89%
    Genet 17.54%
    Broom 17.47%
    Very strong 17.44%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.52 (strong acid)

    Molecular weight
    775.0 g/mol

    Flash point

    • 426.11 ˚C est.

    Solubility expt.

    • SOL IN WATER & METHANOL; PRACTICALLY INSOL IN MOST OTHER ORG SOLVENTS
    • Soluble in water, less soluble in ethanol.

  • Synonyms

    • indocyanine green
    • Cardiogreen
    • Wofaverdin
    • 3599-32-4
    • Fox Green
    • IC-Green
    • Ujoviridin
    • Cardio-Green
    • HWD Indocyanine Green
    • Spy agent green
    • IR 125
    • NK 1611
    • IX6J1063HV
    • CHEBI:31696
    • 1H-Benz(e)indolium, 2-(7-(1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz(e)indol-2-ylidene)-1,3,5-heptatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt, sodium salt
    • DTXSID2023145
    • Ujoveridin
    • Vofaverdin
    • Vophaverdin
    • Cardio Green
    • Green, Indocyanine
    • 1H-Benz(e)indolium, 2-(7-(1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz(e)indol-2-ylidene)-1,3,5-heptatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, sodium salt
    • DTXCID703145
    • SPY Elite Kit
    • SPY Lymphatics Kit
    • SPY-MIS Kit
    • SPY-PHI Kit
    • RefChem:55397
    • PINPOINT Lymphatics Kit
    • SPY AGENT GREEN KIT
    • Indocyanine Green and Water
    • sodium 4-(2-((1E,3E,5E,7Z)-7-(1,1-dimethyl-3-(4-sulfonatobutyl)benzo(e)indol-2-ylidene)hepta-1,3,5-trienyl)-1,1-dimethylbenzo(e)indol-3-ium-3-yl)butane-1-sulfonate
    • Foxgreen
    • MFCD00013078
    • MLS001336048
    • ICG
    • SMR000875329
    • UNII-IX6J1063HV
    • Ujovirdin
    • Indocyanine green [USP:JAN]
    • verde indocianina
    • HSDB 3413
    • Sindocyanine green
    • vert d'indocyanine
    • 2-(7-(1,1-Dimethyl-3-(4-sulfobutyl)benz(e)indolin-2-ylidene)-1,3,5-heptatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-1H-benz(e)indolium hydroxide, inner salt, sodium salt
    • EINECS 222-751-5
    • Verde de indocianina
    • IC-Green (TN)
    • sodium;4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
    • CHEMBL1646
    • SCHEMBL23630
    • Sucrose, crude (cane sugar)
    • MLS001336047
    • MLS006011677
    • Indocyanine green (JAN/USP)
    • SCHEMBL29374051
    • SCHEMBL29474196
    • HMS2231C04
    • HMS5086M20
    • 1H-Benz(e)indolium, 2-(7-(1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz(e)indol-2-ylidene)-1,3,5-heptatrien-1-yl)-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)
    • AKOS000813771
    • 2-(7-(1,3-Dihydro-1,1-dimethyl-3-(4-sulfobutyl)benz(e)indolin-2-ylidene)-1,3,5-heptatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-1H-benz(e)indoliumhydroxide inner sodium salt
    • AC-38018
    • Anhydro-3,3,3',3'-tetramethyl-1,1'-bis(4-sulfobutyl)-4,5,4',5'-dibenzoindotricarbocyanine hydroxide inner salt sodium salt
    • Natrium 4-(2-(7-(2,3-Dihydro-1,1-dimethyl-3-(4-sulfobutyl)-1H-benz(e)indol-2-yliden)-1,3,5-heptatrienyl)-1,1-dimethyl-1H-benz(e)indol-3-ol)butan-1-sulfonat
    • SMR004703418
    • S1924
    • D01342
    • sodium 4-(2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
    • 3599-32-4

  • Applications

    Indocyanine Green (CAS 3599-32-4) is a near-infrared fluorescent dye used in biomedical imaging to support retinal angiography and ophthalmic imaging, to guide intraoperative fluorescence imaging for locating structures and sentinel lymph nodes in oncologic surgery, to assess hepatic function via the indocyanine green clearance test, and as a fluorescence imaging reagent for in vivo research in small-animal models and related clinical investigations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.32
    methanol 0.84
    isopropanol 0.09
    water 0.0
    ethyl acetate 0.29
    n-propanol 0.26
    acetone 0.71
    n-butanol 0.17
    acetonitrile 0.36
    DMF 4.58
    toluene 0.07
    isobutanol 0.11
    1,4-dioxane 0.67
    methyl acetate 0.5
    THF 1.23
    2-butanone 0.89
    n-pentanol 0.17
    sec-butanol 0.1
    n-hexane 0.0
    ethylene glycol 0.15
    NMP 5.84
    cyclohexane 0.0
    DMSO 1.5
    n-butyl acetate 0.44
    n-octanol 0.15
    chloroform 3.12
    n-propyl acetate 0.49
    acetic acid 0.89
    dichloromethane 2.56
    cyclohexanone 1.33
    propylene glycol 0.15
    isopropyl acetate 0.17
    DMAc 5.47
    2-ethoxyethanol 1.12
    isopentanol 0.09
    n-heptane 0.0
    ethyl formate 0.79
    1,2-dichloroethane 0.72
    n-hexanol 0.1
    2-methoxyethanol 1.43
    isobutyl acetate 0.29
    tetrachloromethane 0.09
    n-pentyl acetate 0.73
    transcutol 2.05
    n-heptanol 0.16
    ethylbenzene 0.05
    MIBK 0.25
    2-propoxyethanol 1.36
    tert-butanol 0.04
    MTBE 0.05
    2-butoxyethanol 1.42
    propionic acid 0.5
    o-xylene 0.04
    formic acid 1.16
    diethyl ether 0.1
    m-xylene 0.03
    p-xylene 0.08
    chlorobenzene 0.32
    dimethyl carbonate 0.55
    n-octane 0.0
    formamide 1.59
    cyclopentanone 2.39
    2-pentanone 0.51
    anisole 0.28
    cyclopentyl methyl ether 0.17
    gamma-butyrolactone 2.44
    1-methoxy-2-propanol 0.71
    pyridine 1.69
    3-pentanone 0.41
    furfural 4.22
    n-dodecane 0.0
    diethylene glycol 0.91
    diisopropyl ether 0.01
    tert-amyl alcohol 0.06
    acetylacetone 0.83
    n-hexadecane 0.0
    acetophenone 0.74
    methyl propionate 0.5
    isopentyl acetate 0.33
    trichloroethylene 2.99
    n-nonanol 0.17
    cyclohexanol 0.07
    benzyl alcohol 0.51
    2-ethylhexanol 0.06
    isooctanol 0.11
    dipropyl ether 0.1
    1,2-dichlorobenzene 0.34
    ethyl lactate 0.51
    propylene carbonate 1.02
    n-methylformamide 2.33
    2-pentanol 0.05
    n-pentane 0.0
    1-propoxy-2-propanol 0.68
    1-methoxy-2-propyl acetate 0.73
    2-(2-methoxypropoxy) propanol 1.11
    mesitylene 0.02
    ε-caprolactone 1.28
    p-cymene 0.04
    epichlorohydrin 2.65
    1,1,1-trichloroethane 0.25
    2-aminoethanol 0.31
    morpholine-4-carbaldehyde 5.43
    sulfolane 3.07
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.3
    n-hexyl acetate 0.62
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.44
    sec-butyl acetate 0.19
    tert-butyl acetate 0.15
    decalin 0.0
    glycerin 0.44
    diglyme 2.78
    acrylic acid 0.83
    isopropyl myristate 0.15
    n-butyric acid 0.6
    acetyl acetate 0.29
    di(2-ethylhexyl) phthalate 0.47
    ethyl propionate 0.33
    nitromethane 2.58
    1,2-diethoxyethane 0.49
    benzonitrile 0.74
    trioctyl phosphate 0.23
    1-bromopropane 0.16
    gamma-valerolactone 6.92
    n-decanol 0.1
    triethyl phosphate 0.22
    4-methyl-2-pentanol 0.03
    propionitrile 0.38
    vinylene carbonate 1.76
    1,1,2-trichlorotrifluoroethane 4.52
    DMS 0.59
    cumene 0.03
    2-octanol 0.08
    2-hexanone 0.63
    octyl acetate 0.27
    limonene 0.04
    1,2-dimethoxyethane 1.77
    ethyl orthosilicate 0.17
    tributyl phosphate 0.27
    diacetone alcohol 0.36
    N,N-dimethylaniline 0.18
    acrylonitrile 0.93
    aniline 0.21
    1,3-propanediol 0.39
    bromobenzene 0.24
    dibromomethane 0.79
    1,1,2,2-tetrachloroethane 1.73
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.63
    diisobutyl methanol 0.03
    2-phenylethanol 0.45
    styrene 0.07
    dioctyl adipate 0.45
    dimethyl sulfate 0.99
    ethyl butyrate 0.36
    methyl lactate 0.65
    butyl lactate 0.99
    diethyl carbonate 0.26
    propanediol butyl ether 1.16
    triethyl orthoformate 0.31
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.91
    morpholine 0.97
    tert-butylamine 0.02
    n-dodecanol 0.06
    dimethoxymethane 1.36
    ethylene carbonate 0.96
    cyrene 2.02
    2-ethoxyethyl acetate 1.68
    2-ethylhexyl acetate 0.28
    1,2,4-trichlorobenzene 0.54
    4-methylpyridine 1.0
    dibutyl ether 0.12
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.97
    dimethyl isosorbide 1.91
    tetrachloroethylene 1.06
    eugenol 1.46
    triacetin 1.05
    span 80 0.9
    1,4-butanediol 0.22
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 0.11
    methyl formate 1.65
    2-methyl-1-butanol 0.11
    n-decane 0.01
    butyronitrile 0.34
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.14
    tetrahydropyran 0.24
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 1.7
    1-hexene 0.02
    2-isopropoxyethanol 0.57
    2,2,2-trifluoroethanol 0.58
    methyl butyrate 0.59

    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