Riboflavin tetraacetate

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  • Identifiers

    CAS number
    752-13-6

    Molecular formula
    C25H28N4O10

    SMILES
    CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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  • Odor profile

    Fragrance
    Odorless 69.45%
    Grape 28.72%
    Floral 20.9%
    Cooked 20.84%
    Fruity 19.45%
    Milky 18.67%
    Roasted 18.04%
    Musk 16.77%
    Savory 16.59%
    Animal 16.18%

     

    Flavor
    Bitter 68.78%
    Odorless 46.01%
    Mild 29.23%
    Bland 28.9%
    Very mild 25.61%
    Fruity 23.59%
    Sweet-like 21.04%
    Heather 18.91%
    Broom 18.86%
    Orange flower 18.6%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    3.84 (weak acid)

    Molecular weight
    544.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    694°C

    Flash point

    • 316.25 ˚C est.

  • Synonyms

    • Riboflavin tetraacetate
    • 2',3',4',5'-Tetraacetylriboflavin
    • 2K1S9MWK7X
    • 752-13-6
    • Riboflavine tetraacetate
    • Vitamin B2 tetraacetate
    • Tetra-O-acetylriboflavine
    • TETRA-O-ACETYLRIBOFLAVIN
    • 2',3',4',5'-Tetra-O-acetylriboflavin
    • Riboflavine, 2',3',4',5'-tetraacetate
    • RefChem:883595
    • RIBOFLAVIN TETRAACETATE [INCI]
    • riboflavin-2',3',4',5'-tetraacetate
    • 212-032-4
    • Riboflavin, 2',3',4',5'-tetraacetate
    • (2R,3S,4S)-5-(7,8-Dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentane-1,2,3,4-tetrayl tetraacetate
    • UNII-2K1S9MWK7X
    • MFCD35160989
    • Acetic acid, riboflavin tetraester
    • EINECS 212-032-4
    • SCHEMBL31029248
    • G64624
    • Q27254846
    • 752-13-6

  • Applications

    Riboflavin tetraacetate (CAS 752-13-6) is an acetylated derivative of riboflavin (vitamin B2). In industrial and research settings, it is commonly used as a synthetic intermediate for preparing riboflavin derivatives and for applications related to riboflavin chemistry. It is also regarded as a photosensitizer/photoinitiator for light-sensitive polymerization processes, particularly in UV-curable coatings, inks, and adhesives. Due to its fluorescence and protective acetyl groups, it can serve as a fluorescent reagent in analytical chemistry and sample analysis in laboratories. Additionally, the acetylation increases lipophilicity, which may be exploited as a precursor or formulation-supporting form to adjust solubility in certain specialized formulations, subject to local regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.07
    methanol 22.65
    isopropanol 6.85
    water 0.64
    ethyl acetate 5.59
    n-propanol 8.75
    acetone 30.69
    n-butanol 4.74
    acetonitrile 13.49
    DMF 102.95
    toluene 0.35
    isobutanol 4.04
    1,4-dioxane 13.18
    methyl acetate 17.95
    THF 40.08
    2-butanone 19.8
    n-pentanol 3.13
    sec-butanol 5.16
    n-hexane 0.08
    ethylene glycol 9.73
    NMP 158.26
    cyclohexane 0.06
    DMSO 242.39
    n-butyl acetate 3.23
    n-octanol 0.55
    chloroform 13.35
    n-propyl acetate 4.81
    acetic acid 87.78
    dichloromethane 21.79
    cyclohexanone 14.98
    propylene glycol 9.01
    isopropyl acetate 2.1
    DMAc 164.65
    2-ethoxyethanol 25.36
    isopentanol 2.57
    n-heptane 0.04
    ethyl formate 17.25
    1,2-dichloroethane 11.73
    n-hexanol 0.91
    2-methoxyethanol 58.95
    isobutyl acetate 1.6
    tetrachloromethane 1.2
    n-pentyl acetate 1.85
    transcutol 15.92
    n-heptanol 0.73
    ethylbenzene 0.29
    MIBK 1.69
    2-propoxyethanol 13.31
    tert-butanol 3.46
    MTBE 1.32
    2-butoxyethanol 7.51
    propionic acid 20.74
    o-xylene 0.29
    formic acid 74.89
    diethyl ether 2.18
    m-xylene 0.16
    p-xylene 0.49
    chlorobenzene 1.22
    dimethyl carbonate 9.75
    n-octane 0.02
    formamide 95.38
    cyclopentanone 36.47
    2-pentanone 6.09
    anisole 1.73
    cyclopentyl methyl ether 2.52
    gamma-butyrolactone 66.85
    1-methoxy-2-propanol 18.91
    pyridine 14.0
    3-pentanone 4.85
    furfural 50.81
    n-dodecane 0.02
    diethylene glycol 15.16
    diisopropyl ether 0.21
    tert-amyl alcohol 3.39
    acetylacetone 8.31
    n-hexadecane 0.02
    acetophenone 3.76
    methyl propionate 9.06
    isopentyl acetate 2.18
    trichloroethylene 22.71
    n-nonanol 0.61
    cyclohexanol 2.09
    benzyl alcohol 3.26
    2-ethylhexanol 0.49
    isooctanol 0.5
    dipropyl ether 1.12
    1,2-dichlorobenzene 1.4
    ethyl lactate 5.04
    propylene carbonate 19.73
    n-methylformamide 59.93
    2-pentanol 1.41
    n-pentane 0.06
    1-propoxy-2-propanol 5.7
    1-methoxy-2-propyl acetate 3.94
    2-(2-methoxypropoxy) propanol 8.0
    mesitylene 0.09
    ε-caprolactone 17.6
    p-cymene 0.16
    epichlorohydrin 54.22
    1,1,1-trichloroethane 4.52
    2-aminoethanol 14.45
    morpholine-4-carbaldehyde 67.56
    sulfolane 110.07
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 11.13
    n-hexyl acetate 1.68
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.21
    sec-butyl acetate 1.75
    tert-butyl acetate 1.4
    decalin 0.04
    glycerin 22.94
    diglyme 20.27
    acrylic acid 29.67
    isopropyl myristate 0.57
    n-butyric acid 13.82
    acetyl acetate 3.72
    di(2-ethylhexyl) phthalate 1.66
    ethyl propionate 4.23
    nitromethane 145.27
    1,2-diethoxyethane 3.05
    benzonitrile 3.34
    trioctyl phosphate 0.92
    1-bromopropane 3.03
    gamma-valerolactone 75.96
    n-decanol 0.44
    triethyl phosphate 2.94
    4-methyl-2-pentanol 0.48
    propionitrile 6.76
    vinylene carbonate 18.61
    1,1,2-trichlorotrifluoroethane 53.36
    DMS 3.43
    cumene 0.21
    2-octanol 0.35
    2-hexanone 5.09
    octyl acetate 1.08
    limonene 0.21
    1,2-dimethoxyethane 35.94
    ethyl orthosilicate 2.07
    tributyl phosphate 1.38
    diacetone alcohol 4.64
    N,N-dimethylaniline 1.35
    acrylonitrile 12.88
    aniline 2.25
    1,3-propanediol 18.87
    bromobenzene 0.83
    dibromomethane 8.96
    1,1,2,2-tetrachloroethane 16.22
    2-methyl-cyclohexyl acetate 2.09
    tetrabutyl urea 2.68
    diisobutyl methanol 0.22
    2-phenylethanol 1.57
    styrene 0.37
    dioctyl adipate 1.94
    dimethyl sulfate 28.81
    ethyl butyrate 2.96
    methyl lactate 11.0
    butyl lactate 3.15
    diethyl carbonate 3.17
    propanediol butyl ether 4.54
    triethyl orthoformate 2.74
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 3.1
    morpholine 23.42
    tert-butylamine 0.95
    n-dodecanol 0.31
    dimethoxymethane 24.68
    ethylene carbonate 13.2
    cyrene 14.88
    2-ethoxyethyl acetate 4.24
    2-ethylhexyl acetate 1.54
    1,2,4-trichlorobenzene 2.76
    4-methylpyridine 7.58
    dibutyl ether 0.74
    2,6-dimethyl-4-heptanol 0.22
    DEF 13.9
    dimethyl isosorbide 11.21
    tetrachloroethylene 8.79
    eugenol 3.88
    triacetin 4.2
    span 80 3.74
    1,4-butanediol 6.55
    1,1-dichloroethane 5.89
    2-methyl-1-pentanol 2.13
    methyl formate 48.22
    2-methyl-1-butanol 3.27
    n-decane 0.03
    butyronitrile 4.81
    3,7-dimethyl-1-octanol 0.39
    1-chlorooctane 0.19
    1-chlorotetradecane 0.08
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 6.38
    tetrahydropyran 4.99
    tert-amyl methyl ether 1.26
    2,5,8-trioxanonane 13.23
    1-hexene 0.42
    2-isopropoxyethanol 9.27
    2,2,2-trifluoroethanol 40.2
    methyl butyrate 7.5

    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