Bis-retinamido methylpentane

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  • Identifiers

    CAS number
    1354766-25-8

    Molecular formula
    C46H68N2O2

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NCCCC(C)CNC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C)/C)/C

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  • Odor profile

    Fragrance
    Woody 46.63%
    Fruity 44.62%
    Floral 30.15%
    Tropical 27.93%
    Fresh 27.69%
    Meaty 26.72%
    Herbal 26.34%
    Citrus 25.92%
    Spicy 24.65%
    Waxy 24.38%

     

    Flavor
    Bitter 26.18%
    Herbal 24.73%
    Balsam 23.81%
    Oriental 23.04%
    Diterpene 20.4%
    Low 20.35%
    Nitrile 19.44%
    Balsamic 19.26%
    Mouldy 19.22%
    Sandalwood 19.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.7

    pKa est.
    8.12 (weak base)

    Molecular weight
    681.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1291°C

    Flash point

    • 320.16 ˚C est.

  • Synonyms

    • Retinostar 2A
    • Bis-retinamido methylpentane
    • C52T9W4WFW
    • Retinamide, N,N'-(2-methyl-1,5-pentanediyl)bis-
    • 1354766-25-8
    • RS-2A compound
    • RefChem:120318
    • UNII-C52T9W4WFW
    • Bis-retinamido methylpentane [INCI]
    • SCHEMBL30933190
    • Q27275203
    • 1354766-25-8

  • Applications

    Bis-retinamido methylpentane (CAS 1354766-25-8) is used as a specialty chemical intermediate and building block in organic synthesis, enabling the construction of more complex retinamide-containing compounds. In the polymers and plastics sector, it can function as a crosslinking agent or functional monomer to modify properties in coatings, plastics, and elastomer formulations. In cosmetics and personal care, it may be explored as a reactive ingredient or intermediate in retinamide-related actives, subject to formulation constraints and regulatory requirements. In coatings and inks, it can serve as a reactive additive to influence curing behavior and adhesion, while in adhesives it may act as a functional component to improve formulation stability and bonding performance. Actual uses depend on regulatory compliance and specific formulation details.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.53
    methanol 0.86
    isopropanol 0.08
    water 0.0
    ethyl acetate 0.63
    n-propanol 0.54
    acetone 0.57
    n-butanol 0.53
    acetonitrile 0.11
    DMF 1.89
    toluene 1.66
    isobutanol 0.26
    1,4-dioxane 1.6
    methyl acetate 0.51
    THF 8.21
    2-butanone 1.55
    n-pentanol 0.93
    sec-butanol 0.27
    n-hexane 0.15
    ethylene glycol 0.01
    NMP 10.62
    cyclohexane 0.09
    DMSO 0.73
    n-butyl acetate 1.25
    n-octanol 0.46
    chloroform 6.81
    n-propyl acetate 1.32
    acetic acid 0.57
    dichloromethane 4.78
    cyclohexanone 3.61
    propylene glycol 0.05
    isopropyl acetate 0.54
    DMAc 6.79
    2-ethoxyethanol 1.54
    isopentanol 0.38
    n-heptane 0.11
    ethyl formate 0.6
    1,2-dichloroethane 1.56
    n-hexanol 0.68
    2-methoxyethanol 0.9
    isobutyl acetate 1.13
    tetrachloromethane 0.6
    n-pentyl acetate 1.81
    transcutol 5.17
    n-heptanol 0.74
    ethylbenzene 1.23
    MIBK 0.84
    2-propoxyethanol 2.49
    tert-butanol 0.09
    MTBE 0.62
    2-butoxyethanol 2.69
    propionic acid 0.39
    o-xylene 0.78
    formic acid 0.29
    diethyl ether 0.66
    m-xylene 0.97
    p-xylene 1.26
    chlorobenzene 2.09
    dimethyl carbonate 0.39
    n-octane 0.04
    formamide 0.32
    cyclopentanone 4.58
    2-pentanone 1.16
    anisole 2.38
    cyclopentyl methyl ether 2.32
    gamma-butyrolactone 3.67
    1-methoxy-2-propanol 0.76
    pyridine 4.26
    3-pentanone 1.24
    furfural 4.16
    n-dodecane 0.02
    diethylene glycol 0.35
    diisopropyl ether 0.17
    tert-amyl alcohol 0.33
    acetylacetone 1.01
    n-hexadecane 0.02
    acetophenone 2.66
    methyl propionate 0.83
    isopentyl acetate 1.49
    trichloroethylene 5.68
    n-nonanol 0.61
    cyclohexanol 0.41
    benzyl alcohol 1.32
    2-ethylhexanol 0.7
    isooctanol 0.69
    dipropyl ether 1.24
    1,2-dichlorobenzene 2.06
    ethyl lactate 0.59
    propylene carbonate 1.58
    n-methylformamide 0.63
    2-pentanol 0.21
    n-pentane 0.07
    1-propoxy-2-propanol 1.65
    1-methoxy-2-propyl acetate 1.81
    2-(2-methoxypropoxy) propanol 2.78
    mesitylene 0.41
    ε-caprolactone 3.75
    p-cymene 0.5
    epichlorohydrin 5.47
    1,1,1-trichloroethane 1.31
    2-aminoethanol 0.1
    morpholine-4-carbaldehyde 4.97
    sulfolane 5.07
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 3.46
    n-hexyl acetate 1.84
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 2.94
    sec-butyl acetate 1.12
    tert-butyl acetate 0.95
    decalin 0.12
    glycerin 0.09
    diglyme 5.88
    acrylic acid 0.35
    isopropyl myristate 0.53
    n-butyric acid 0.82
    acetyl acetate 0.42
    di(2-ethylhexyl) phthalate 1.02
    ethyl propionate 1.21
    nitromethane 0.8
    1,2-diethoxyethane 1.9
    benzonitrile 0.79
    trioctyl phosphate 0.51
    1-bromopropane 1.33
    gamma-valerolactone 8.93
    n-decanol 0.33
    triethyl phosphate 0.97
    4-methyl-2-pentanol 0.2
    propionitrile 0.28
    vinylene carbonate 1.68
    1,1,2-trichlorotrifluoroethane 3.19
    DMS 0.76
    cumene 0.75
    2-octanol 0.36
    2-hexanone 2.38
    octyl acetate 0.8
    limonene 0.64
    1,2-dimethoxyethane 3.52
    ethyl orthosilicate 1.2
    tributyl phosphate 0.58
    diacetone alcohol 0.93
    N,N-dimethylaniline 2.12
    acrylonitrile 0.33
    aniline 1.03
    1,3-propanediol 0.2
    bromobenzene 2.52
    dibromomethane 2.65
    1,1,2,2-tetrachloroethane 4.19
    2-methyl-cyclohexyl acetate 2.24
    tetrabutyl urea 1.13
    diisobutyl methanol 0.26
    2-phenylethanol 1.56
    styrene 1.23
    dioctyl adipate 1.23
    dimethyl sulfate 0.96
    ethyl butyrate 1.66
    methyl lactate 0.36
    butyl lactate 1.28
    diethyl carbonate 0.73
    propanediol butyl ether 1.2
    triethyl orthoformate 1.78
    p-tert-butyltoluene 0.45
    methyl 4-tert-butylbenzoate 2.92
    morpholine 2.69
    tert-butylamine 0.08
    n-dodecanol 0.18
    dimethoxymethane 1.53
    ethylene carbonate 1.01
    cyrene 4.32
    2-ethoxyethyl acetate 2.66
    2-ethylhexyl acetate 1.59
    1,2,4-trichlorobenzene 2.85
    4-methylpyridine 3.2
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 0.26
    DEF 1.9
    dimethyl isosorbide 5.69
    tetrachloroethylene 2.77
    eugenol 2.73
    triacetin 1.8
    span 80 2.14
    1,4-butanediol 0.13
    1,1-dichloroethane 0.98
    2-methyl-1-pentanol 1.06
    methyl formate 0.49
    2-methyl-1-butanol 0.58
    n-decane 0.06
    butyronitrile 0.41
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.36
    1-chlorotetradecane 0.09
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.13
    cyclooctane 0.05
    cyclopentanol 0.45
    tetrahydropyran 2.14
    tert-amyl methyl ether 1.07
    2,5,8-trioxanonane 3.38
    1-hexene 0.77
    2-isopropoxyethanol 1.13
    2,2,2-trifluoroethanol 0.16
    methyl butyrate 1.82

    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