Lumichrome

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  • Identifiers

    CAS number
    1086-80-2

    Molecular formula
    C12H10N4O2

    SMILES
    CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 42.3%
    Burnt 30.03%
    Bitter 29.34%
    Animal 24.71%
    Roasted 24.52%
    Musty 24.42%
    Nutty 23.69%
    Fruity 21.19%
    Phenolic 19.19%
    Cooked 18.69%

     

    Flavor
    Bitter 90.43%
    Odorless 29.04%
    Very strong 21.39%
    Indole 20.73%
    Nitrile 20.56%
    Bread crust 20.11%
    Cereal 19.79%
    Cedarleaf 19.78%
    Rotten 19.75%
    Soybean 19.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.77 (neutral)

    Molecular weight
    242.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    620°C

    Melting point expt.

    • >300 °C

    Flash point

    • 293.75 ˚C est.

  • Synonyms

    • lumichrome
    • 1086-80-2
    • 7,8-Dimethylalloxazine
    • Riboflavin lumichrome
    • Alloxazine, 7,8-dimethyl-
    • 7,8-dimethylisoalloxazine
    • Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-
    • 99U1UDJ2HM
    • Benzo(g)pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-
    • 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
    • CHEBI:17781
    • NSC-96911
    • CHEBI:37323
    • DTXSID70148600
    • 7,8-dimethyl-1H-benzo(g)pteridine-2,4-dione
    • RefChem:154273
    • DTXCID0071091
    • 214-120-8
    • 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
    • MFCD00005021
    • 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione
    • 7,8-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione
    • Riboflavin EP Impurity B
    • LUM
    • 7,8-Dimethylbenzo(g)pteridine-2,4(1H,3H)-dione
    • UNII-99U1UDJ2HM
    • 7,8-dimethyl-3,10-dihydrobenzo[g]pteridine-2,4-dione
    • 7,8-Dimethylbenzo[g]pteridine-2,4(1H,3H)-dione (Lumichrome)
    • Lumichrome (I)
    • 7,8-Dimethylbenzo[g]pteridine-2,4(1H,3H)-dione; 7,8-Dimethylalloxazine; Riboflavin lumichrome; 7,8-Dimethylisoalloxazine; NSC 96911; Riboflavin Impurity B
    • dimethylisoalloxazine
    • EINECS 214-120-8
    • NSC 96911
    • 2cc7
    • Alloxazine,8-dimethyl-
    • LUMICHROME [MI]
    • Oprea1_454036
    • SCHEMBL194906
    • SCHEMBL974856
    • orb1302128
    • CHEMBL1234101
    • SCHEMBL29516827
    • SCHEMBL29861572
    • SCHEMBL30432151
    • HMS3604B12
    • ALBB-023287
    • NSC96911
    • BDBM50410877
    • CCG-36441
    • MSK005023
    • SBB071397
    • AKOS003232003
    • AKOS003245099
    • DB04345
    • EBC-615453
    • AS-56222
    • FD131182
    • ST086620
    • SY051636
    • 7,8-Dimethylbenzo[g]pteridine-2,4-diol #
    • DB-040839
    • HY-115385
    • RIBOFLAVIN IMPURITY B [EP IMPURITY]
    • CS-0081855
    • D1066
    • NS00023504
    • C01727
    • D78457
    • 7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione
    • 7,8-dimethyl-1H-benzo[g]pteridine-2,4-quinone
    • Benzo[g]pteridine-2,3H)-dione, 7,8-dimethyl-
    • AG-690/11093051
    • F373461
    • SR-01000198213
    • SR-01000198213-1
    • Q27095157
    • 3CC7321C-61C5-4305-A0F0-EE1334A0C8A1
    • 7,8-dimethyl-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
    • 7,8-DIMETHYLBENZO(G)PTERIDINE-2,4-(1H,3H)-DIONE
    • 1086-80-2

  • Applications

    Lumichrome (CAS 1086-80-2) is commonly evaluated in research and analytical contexts as a fluorescent probe and a model compound for flavin photochemistry. It may be used as a fluorometric standard or calibration aid in fluorescence spectroscopy. It is also explored as a colorant or dye/intermediate in coatings and inks, depending on formulation compatibility. In addition, lumichrome is sometimes investigated as a photosensitizer or light-absorbing additive for organic electronic or optical applications, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.11
    methanol 0.15
    isopropanol 0.06
    water 0.02
    ethyl acetate 0.04
    n-propanol 0.09
    acetone 0.03
    n-butanol 0.09
    acetonitrile 0.05
    DMF 0.77
    toluene 0.01
    isobutanol 0.08
    1,4-dioxane 0.04
    methyl acetate 0.06
    THF 0.53
    2-butanone 0.1
    n-pentanol 0.07
    sec-butanol 0.08
    n-hexane 0.0
    ethylene glycol 0.36
    NMP 6.13
    cyclohexane 0.0
    DMSO 4.36
    n-butyl acetate 0.26
    n-octanol 0.02
    chloroform 0.06
    n-propyl acetate 0.09
    acetic acid 0.34
    dichloromethane 0.08
    cyclohexanone 0.24
    propylene glycol 0.42
    isopropyl acetate 0.05
    DMAc 4.17
    2-ethoxyethanol 0.63
    isopentanol 0.15
    n-heptane 0.0
    ethyl formate 0.13
    1,2-dichloroethane 0.06
    n-hexanol 0.09
    2-methoxyethanol 2.0
    isobutyl acetate 0.07
    tetrachloromethane 0.03
    n-pentyl acetate 0.09
    transcutol 1.46
    n-heptanol 0.06
    ethylbenzene 0.01
    MIBK 0.09
    2-propoxyethanol 1.56
    tert-butanol 0.1
    MTBE 0.02
    2-butoxyethanol 0.81
    propionic acid 0.27
    o-xylene 0.02
    formic acid 1.24
    diethyl ether 0.01
    m-xylene 0.01
    p-xylene 0.03
    chlorobenzene 0.02
    dimethyl carbonate 0.15
    n-octane 0.0
    formamide 1.83
    cyclopentanone 0.62
    2-pentanone 0.06
    anisole 0.05
    cyclopentyl methyl ether 0.09
    gamma-butyrolactone 1.18
    1-methoxy-2-propanol 1.11
    pyridine 0.18
    3-pentanone 0.05
    furfural 1.98
    n-dodecane 0.0
    diethylene glycol 2.8
    diisopropyl ether 0.01
    tert-amyl alcohol 0.14
    acetylacetone 0.1
    n-hexadecane 0.0
    acetophenone 0.2
    methyl propionate 0.1
    isopentyl acetate 0.39
    trichloroethylene 0.15
    n-nonanol 0.02
    cyclohexanol 0.07
    benzyl alcohol 0.16
    2-ethylhexanol 0.1
    isooctanol 0.07
    dipropyl ether 0.06
    1,2-dichlorobenzene 0.06
    ethyl lactate 0.46
    propylene carbonate 0.73
    n-methylformamide 0.52
    2-pentanol 0.04
    n-pentane 0.0
    1-propoxy-2-propanol 1.06
    1-methoxy-2-propyl acetate 0.53
    2-(2-methoxypropoxy) propanol 1.27
    mesitylene 0.01
    ε-caprolactone 0.43
    p-cymene 0.05
    epichlorohydrin 0.96
    1,1,1-trichloroethane 0.04
    2-aminoethanol 0.52
    morpholine-4-carbaldehyde 1.92
    sulfolane 6.09
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.2
    n-hexyl acetate 0.06
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.01
    sec-butyl acetate 0.07
    tert-butyl acetate 0.11
    decalin 0.0
    glycerin 2.22
    diglyme 1.78
    acrylic acid 0.46
    isopropyl myristate 0.04
    n-butyric acid 0.3
    acetyl acetate 0.04
    di(2-ethylhexyl) phthalate 0.25
    ethyl propionate 0.11
    nitromethane 0.41
    1,2-diethoxyethane 0.08
    benzonitrile 0.15
    trioctyl phosphate 0.13
    1-bromopropane 0.03
    gamma-valerolactone 1.47
    n-decanol 0.02
    triethyl phosphate 0.56
    4-methyl-2-pentanol 0.05
    propionitrile 0.1
    vinylene carbonate 0.47
    1,1,2-trichlorotrifluoroethane 2.74
    DMS 0.19
    cumene 0.02
    2-octanol 0.02
    2-hexanone 0.12
    octyl acetate 0.05
    limonene 0.05
    1,2-dimethoxyethane 0.69
    ethyl orthosilicate 0.41
    tributyl phosphate 0.21
    diacetone alcohol 0.65
    N,N-dimethylaniline 0.11
    acrylonitrile 0.19
    aniline 0.08
    1,3-propanediol 0.72
    bromobenzene 0.02
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.18
    2-methyl-cyclohexyl acetate 0.36
    tetrabutyl urea 0.35
    diisobutyl methanol 0.08
    2-phenylethanol 0.24
    styrene 0.01
    dioctyl adipate 0.11
    dimethyl sulfate 0.98
    ethyl butyrate 0.21
    methyl lactate 0.78
    butyl lactate 0.55
    diethyl carbonate 0.27
    propanediol butyl ether 0.6
    triethyl orthoformate 0.33
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 0.53
    morpholine 0.16
    tert-butylamine 0.03
    n-dodecanol 0.02
    dimethoxymethane 0.24
    ethylene carbonate 0.29
    cyrene 2.29
    2-ethoxyethyl acetate 0.18
    2-ethylhexyl acetate 0.29
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 0.13
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.08
    DEF 0.22
    dimethyl isosorbide 3.27
    tetrachloroethylene 0.13
    eugenol 0.94
    triacetin 0.2
    span 80 0.56
    1,4-butanediol 0.22
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.13
    methyl formate 0.22
    2-methyl-1-butanol 0.13
    n-decane 0.0
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.2
    tetrahydropyran 0.03
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 1.66
    1-hexene 0.01
    2-isopropoxyethanol 0.33
    2,2,2-trifluoroethanol 0.43
    methyl butyrate 0.2

    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