Allantoin Biotin

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  • Identifiers

    CAS number
    4492-73-3

    Molecular formula
    C14H22N6O6S

    SMILES
    C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2.C1(C(=O)NC(=O)N1)NC(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.98%
    Meaty 43.36%
    Roasted 39.01%
    Nutty 36.65%
    Savory 33.36%
    Popcorn 29.59%
    Cooked 29.04%
    Fishy 18.99%
    Beefy 18.44%
    Cocoa 15.76%

     

    Flavor
    Bitter 56.4%
    Odorless 41.56%
    Bland 26.18%
    Mild 24.28%
    Sweet-like 23.07%
    Roasted 21.58%
    Yeast 20.95%
    Cedarleaf 20.83%
    Nitrile 20.58%
    Bouillon 20.47%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.58 (neutral)

    Molecular weight
    402.43 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    494°C

    Flash point

    • 258.31 ˚C est.

  • Synonyms

    • Allantoin biotin
    • UNII-8445SU9RKR
    • 8445SU9RKR
    • DTXSID30884077
    • UREA, (2,5-DIOXO-4-IMIDAZOLIDINYL)-, MONO((3AS,4S,6AR)-HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOATE)
    • UREA, (2,5-DIOXO-4-IMIDAZOLIDINYL)-, MONO((3AS-(3A.ALPHA.,4.BETA.,6A.ALPHA.))-HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOATE)
    • RefChem:110742
    • ALLANTOIN BIOTIN [INCI]
    • DTXCID401023548
    • 1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3AALPHA,4BETA,6AALPHA))-, COMPD. WITH (2,5-DIOXO-4-IMIDAZOLIDINYL)UREA (1:1)
    • UREA, (2,5-DIOXO-4-IMIDAZOLIDINYL)-, MONO((3AS-(3AALPHA,4BETA,6AALPHA))-HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOATE)
    • 4492-73-3
    • 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;(2,5-dioxoimidazolidin-4-yl)urea
    • SCHEMBL978790
    • orb1698554
    • AKOS040750325
    • Q27269483
    • 5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid--N-(2,5-dioxoimidazolidin-4-yl)urea (1/1)
    • 4492-73-3

  • Applications

    Allantoin Biotin (CAS 4492-73-3) is commonly used in cosmetics and personal care as a skin-soothing, moisturizing, and conditioning ingredient suitable for creams, lotions, shampoos, and related products. In pharmaceuticals, it can serve as an excipient or topical ingredient that helps soften and protect the skin. In industrial manufacturing, it may function as a chemical intermediate or processing aid in certain syntheses, and as a minor additive in coatings or inks to influence formulation stability. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.34
    methanol 0.66
    isopropanol 0.32
    water 0.16
    ethyl acetate 1.22
    n-propanol 0.26
    acetone 1.75
    n-butanol 0.39
    acetonitrile 0.32
    DMF 15.08
    toluene 0.19
    isobutanol 0.32
    1,4-dioxane 1.49
    methyl acetate 0.52
    THF 9.08
    2-butanone 1.01
    n-pentanol 0.63
    sec-butanol 0.34
    n-hexane 0.01
    ethylene glycol 3.76
    NMP 40.86
    cyclohexane 0.01
    DMSO 143.95
    n-butyl acetate 3.47
    n-octanol 1.17
    chloroform 1.0
    n-propyl acetate 2.06
    acetic acid 9.78
    dichloromethane 0.88
    cyclohexanone 6.47
    propylene glycol 4.85
    isopropyl acetate 2.22
    DMAc 32.23
    2-ethoxyethanol 13.01
    isopentanol 1.07
    n-heptane 0.03
    ethyl formate 1.43
    1,2-dichloroethane 0.7
    n-hexanol 1.42
    2-methoxyethanol 16.3
    isobutyl acetate 2.08
    tetrachloromethane 0.21
    n-pentyl acetate 3.16
    transcutol 46.44
    n-heptanol 1.78
    ethylbenzene 0.22
    MIBK 3.65
    2-propoxyethanol 20.16
    tert-butanol 1.21
    MTBE 0.34
    2-butoxyethanol 14.09
    propionic acid 2.44
    o-xylene 0.32
    formic acid 22.93
    diethyl ether 0.14
    m-xylene 0.48
    p-xylene 0.41
    chlorobenzene 0.47
    dimethyl carbonate 2.23
    n-octane 0.03
    formamide 19.96
    cyclopentanone 15.68
    2-pentanone 1.97
    anisole 1.07
    cyclopentyl methyl ether 1.7
    gamma-butyrolactone 21.32
    1-methoxy-2-propanol 16.68
    pyridine 1.47
    3-pentanone 0.93
    furfural 31.52
    n-dodecane 0.04
    diethylene glycol 39.65
    diisopropyl ether 0.23
    tert-amyl alcohol 1.14
    acetylacetone 11.66
    n-hexadecane 0.05
    acetophenone 4.07
    methyl propionate 1.53
    isopentyl acetate 4.79
    trichloroethylene 2.83
    n-nonanol 1.37
    cyclohexanol 0.83
    benzyl alcohol 3.12
    2-ethylhexanol 1.17
    isooctanol 1.75
    dipropyl ether 0.59
    1,2-dichlorobenzene 0.98
    ethyl lactate 7.94
    propylene carbonate 13.06
    n-methylformamide 4.39
    2-pentanol 0.43
    n-pentane 0.01
    1-propoxy-2-propanol 13.1
    1-methoxy-2-propyl acetate 11.55
    2-(2-methoxypropoxy) propanol 19.34
    mesitylene 0.45
    ε-caprolactone 7.95
    p-cymene 0.62
    epichlorohydrin 10.61
    1,1,1-trichloroethane 0.64
    2-aminoethanol 3.82
    morpholine-4-carbaldehyde 35.97
    sulfolane 68.53
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.8
    n-hexyl acetate 3.49
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 24.2
    sec-butyl acetate 1.77
    tert-butyl acetate 3.94
    decalin 0.04
    glycerin 39.01
    diglyme 31.63
    acrylic acid 5.19
    isopropyl myristate 1.69
    n-butyric acid 5.07
    acetyl acetate 2.63
    di(2-ethylhexyl) phthalate 5.19
    ethyl propionate 1.74
    nitromethane 16.83
    1,2-diethoxyethane 2.73
    benzonitrile 2.64
    trioctyl phosphate 3.41
    1-bromopropane 0.15
    gamma-valerolactone 41.6
    n-decanol 1.04
    triethyl phosphate 2.89
    4-methyl-2-pentanol 0.91
    propionitrile 0.28
    vinylene carbonate 8.77
    1,1,2-trichlorotrifluoroethane 37.84
    DMS 4.12
    cumene 0.33
    2-octanol 1.1
    2-hexanone 1.97
    octyl acetate 2.35
    limonene 0.57
    1,2-dimethoxyethane 9.01
    ethyl orthosilicate 2.19
    tributyl phosphate 3.47
    diacetone alcohol 15.51
    N,N-dimethylaniline 1.36
    acrylonitrile 0.84
    aniline 0.74
    1,3-propanediol 4.98
    bromobenzene 0.4
    dibromomethane 0.38
    1,1,2,2-tetrachloroethane 2.8
    2-methyl-cyclohexyl acetate 3.94
    tetrabutyl urea 6.23
    diisobutyl methanol 1.08
    2-phenylethanol 4.61
    styrene 0.21
    dioctyl adipate 3.77
    dimethyl sulfate 14.15
    ethyl butyrate 2.81
    methyl lactate 12.97
    butyl lactate 10.27
    diethyl carbonate 2.18
    propanediol butyl ether 18.95
    triethyl orthoformate 2.74
    p-tert-butyltoluene 0.61
    methyl 4-tert-butylbenzoate 9.86
    morpholine 2.29
    tert-butylamine 0.26
    n-dodecanol 0.77
    dimethoxymethane 5.45
    ethylene carbonate 5.3
    cyrene 30.6
    2-ethoxyethyl acetate 6.18
    2-ethylhexyl acetate 2.91
    1,2,4-trichlorobenzene 1.36
    4-methylpyridine 1.52
    dibutyl ether 0.63
    2,6-dimethyl-4-heptanol 1.08
    DEF 3.7
    dimethyl isosorbide 33.36
    tetrachloroethylene 1.73
    eugenol 16.86
    triacetin 9.7
    span 80 15.05
    1,4-butanediol 3.57
    1,1-dichloroethane 0.31
    2-methyl-1-pentanol 1.1
    methyl formate 3.42
    2-methyl-1-butanol 0.65
    n-decane 0.06
    butyronitrile 0.48
    3,7-dimethyl-1-octanol 1.61
    1-chlorooctane 0.27
    1-chlorotetradecane 0.15
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 1.56
    tetrahydropyran 0.57
    tert-amyl methyl ether 0.52
    2,5,8-trioxanonane 28.03
    1-hexene 0.06
    2-isopropoxyethanol 8.17
    2,2,2-trifluoroethanol 9.41
    methyl butyrate 2.78

    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