Bis-retinoyl gerotine bis-hydroxysuccinimide

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  • Identifiers

    CAS number
    666854-47-3

    Molecular formula
    C58H88N6O8

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NCCCNCCCCNCCCNC(=O)/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C.C1C(=O)N(C(=O)C1)O.C1C(=O)N(C(=O)C1)O

    Safety labels

  • Odor profile

    Fragrance
    Meaty 42.49%
    Savory 34.16%
    Roasted 28.8%
    Herbal 28.6%
    Spicy 26.48%
    Cooling 26.16%
    Odorless 24.57%
    Woody 24.4%
    Cooked 23.89%
    Fresh 23.27%

     

    Flavor
    Bitter 30.61%
    Herbal 27.31%
    Oriental 22.21%
    Diterpene 20.25%
    Odorless 20.12%
    Low 19.99%
    Balsam 19.83%
    Nitrile 19.63%
    Mouldy 19.23%
    Sandalwood 19.12%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    9.69 (weak base)

    Molecular weight
    997.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1763°C

    Flash point

    • 335.06 ˚C est.

  • Synonyms

    • Rasp
    • Bis-retinoyl gerotine bis-hydroxysuccinimide
    • UNII-B29709E6G2
    • 666854-47-3
    • B29709E6G2
    • Bis-retinoyl gerotine bis-hydroxysuccinimide [INCI]
    • orb2815763
    • SCHEMBL30933177
    • Q27274276
    • 666854-47-3

  • Applications

    Bis-retinoyl gerotine bis-hydroxysuccinimide (CAS 666854-47-3) is primarily encountered as a reactive intermediate in cosmetics, pharmaceutical and polymer-related formulations. In cosmetics and personal care, it may be used to introduce retinoid functionality into ester or polymeric ingredients via NHS-ester chemistry, enabling functionalized cosmetic formulations with retinoid functionality. In pharmaceuticals, it is commonly evaluated as an intermediate for synthesizing retinoid-based active compounds. In polymer science and coatings/inks, the bis-NHS ester groups enable covalent coupling to amine-containing surfaces or polymers, supporting surface modification, crosslinking, or the formation of functionalized materials; it may also serve as a reactive linker in adhesive formulations, depending on regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.0
    methanol 2.69
    isopropanol 0.14
    water 0.01
    ethyl acetate 0.79
    n-propanol 0.99
    acetone 0.69
    n-butanol 0.76
    acetonitrile 0.17
    DMF 3.27
    toluene 1.4
    isobutanol 0.44
    1,4-dioxane 1.91
    methyl acetate 0.71
    THF 8.09
    2-butanone 1.79
    n-pentanol 1.2
    sec-butanol 0.41
    n-hexane 0.14
    ethylene glycol 0.05
    NMP 17.06
    cyclohexane 0.1
    DMSO 1.28
    n-butyl acetate 1.1
    n-octanol 0.53
    chloroform 6.92
    n-propyl acetate 1.4
    acetic acid 1.45
    dichloromethane 5.16
    cyclohexanone 4.16
    propylene glycol 0.15
    isopropyl acetate 0.57
    DMAc 10.07
    2-ethoxyethanol 2.81
    isopentanol 0.46
    n-heptane 0.1
    ethyl formate 1.0
    1,2-dichloroethane 1.69
    n-hexanol 0.62
    2-methoxyethanol 1.94
    isobutyl acetate 1.08
    tetrachloromethane 0.76
    n-pentyl acetate 1.74
    transcutol 5.93
    n-heptanol 0.87
    ethylbenzene 0.83
    MIBK 0.81
    2-propoxyethanol 3.18
    tert-butanol 0.12
    MTBE 0.47
    2-butoxyethanol 3.51
    propionic acid 0.84
    o-xylene 0.73
    formic acid 1.2
    diethyl ether 0.67
    m-xylene 0.76
    p-xylene 0.96
    chlorobenzene 1.84
    dimethyl carbonate 0.67
    n-octane 0.05
    formamide 1.03
    cyclopentanone 5.88
    2-pentanone 1.29
    anisole 1.7
    cyclopentyl methyl ether 2.64
    gamma-butyrolactone 5.63
    1-methoxy-2-propanol 1.32
    pyridine 4.58
    3-pentanone 1.4
    furfural 6.36
    n-dodecane 0.02
    diethylene glycol 0.68
    diisopropyl ether 0.14
    tert-amyl alcohol 0.42
    acetylacetone 1.29
    n-hexadecane 0.02
    acetophenone 2.51
    methyl propionate 1.19
    isopentyl acetate 1.12
    trichloroethylene 6.09
    n-nonanol 0.65
    cyclohexanol 0.63
    benzyl alcohol 1.58
    2-ethylhexanol 0.57
    isooctanol 0.75
    dipropyl ether 0.98
    1,2-dichlorobenzene 1.78
    ethyl lactate 0.95
    propylene carbonate 2.36
    n-methylformamide 1.53
    2-pentanol 0.28
    n-pentane 0.08
    1-propoxy-2-propanol 1.84
    1-methoxy-2-propyl acetate 1.81
    2-(2-methoxypropoxy) propanol 2.6
    mesitylene 0.31
    ε-caprolactone 4.77
    p-cymene 0.35
    epichlorohydrin 6.71
    1,1,1-trichloroethane 1.17
    2-aminoethanol 0.34
    morpholine-4-carbaldehyde 7.32
    sulfolane 8.19
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 3.53
    n-hexyl acetate 1.66
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 3.07
    sec-butyl acetate 0.99
    tert-butyl acetate 0.77
    decalin 0.09
    glycerin 0.31
    diglyme 6.14
    acrylic acid 0.91
    isopropyl myristate 0.36
    n-butyric acid 1.4
    acetyl acetate 0.53
    di(2-ethylhexyl) phthalate 0.91
    ethyl propionate 1.22
    nitromethane 1.56
    1,2-diethoxyethane 1.53
    benzonitrile 0.83
    trioctyl phosphate 0.48
    1-bromopropane 1.21
    gamma-valerolactone 11.97
    n-decanol 0.33
    triethyl phosphate 0.92
    4-methyl-2-pentanol 0.21
    propionitrile 0.38
    vinylene carbonate 2.7
    1,1,2-trichlorotrifluoroethane 5.94
    DMS 0.91
    cumene 0.52
    2-octanol 0.39
    2-hexanone 2.16
    octyl acetate 0.64
    limonene 0.44
    1,2-dimethoxyethane 4.65
    ethyl orthosilicate 1.05
    tributyl phosphate 0.51
    diacetone alcohol 1.1
    N,N-dimethylaniline 1.58
    acrylonitrile 0.51
    aniline 1.28
    1,3-propanediol 0.47
    bromobenzene 1.87
    dibromomethane 2.77
    1,1,2,2-tetrachloroethane 4.71
    2-methyl-cyclohexyl acetate 1.73
    tetrabutyl urea 0.93
    diisobutyl methanol 0.19
    2-phenylethanol 1.43
    styrene 0.87
    dioctyl adipate 0.93
    dimethyl sulfate 1.64
    ethyl butyrate 1.36
    methyl lactate 0.8
    butyl lactate 1.58
    diethyl carbonate 0.68
    propanediol butyl ether 1.76
    triethyl orthoformate 1.52
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 2.68
    morpholine 3.39
    tert-butylamine 0.09
    n-dodecanol 0.17
    dimethoxymethane 2.31
    ethylene carbonate 1.6
    cyrene 5.66
    2-ethoxyethyl acetate 2.71
    2-ethylhexyl acetate 1.21
    1,2,4-trichlorobenzene 2.54
    4-methylpyridine 3.23
    dibutyl ether 0.62
    2,6-dimethyl-4-heptanol 0.19
    DEF 2.47
    dimethyl isosorbide 5.39
    tetrachloroethylene 3.44
    eugenol 2.86
    triacetin 1.93
    span 80 2.16
    1,4-butanediol 0.28
    1,1-dichloroethane 1.0
    2-methyl-1-pentanol 1.15
    methyl formate 1.16
    2-methyl-1-butanol 0.77
    n-decane 0.06
    butyronitrile 0.48
    3,7-dimethyl-1-octanol 0.37
    1-chlorooctane 0.31
    1-chlorotetradecane 0.07
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.08
    cyclooctane 0.05
    cyclopentanol 0.75
    tetrahydropyran 2.12
    tert-amyl methyl ether 0.83
    2,5,8-trioxanonane 3.33
    1-hexene 0.62
    2-isopropoxyethanol 1.72
    2,2,2-trifluoroethanol 0.49
    methyl butyrate 2.03

    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