Retinyl formyl aspartamate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    442662-22-8

    Molecular formula
    C35H46N2O6

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)NC=O)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 36.48%
    Floral 29.32%
    Sweet 29.31%
    Herbal 27.47%
    Odorless 26.67%
    Woody 26.28%
    Green 26.2%
    Fresh 24.91%
    Balsamic 24.35%
    Tropical 24.26%

     

    Flavor
    Bitter 56.81%
    Odorless 28.83%
    Bland 20.92%
    Heather 20.01%
    Broom 19.57%
    Genet 19.56%
    Oriental 19.32%
    Nitrile 19.19%
    Cedarleaf 18.76%
    Ethyl benzoate 18.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    6.0 (neutral)

    Molecular weight
    590.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1061°C

    Flash point

    • 267.4 ˚C est.

  • Synonyms

    • Retinyl formyl aspartamate
    • Chebiretipeptide
    • 442662-22-8
    • UNII-EOT9DDG6M2
    • EOT9DDG6M2
    • DTXSID40196092
    • L-Phenylalanine, N-formyl-L-alpha-aspartyl-, 1-((2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-yl) 2-methyl ester
    • L-Phenylalanine, N-formyl-L-alpha-aspartyl-, 1-((2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenyl) 2-methyl ester
    • L-PHENYLALANINE, N-FORMYL-L-.ALPHA.-ASPARTYL-, 1-((2E,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2,4,6,8-NONATETRAEN-1-YL) 2-METHYL ESTER
    • L-PHENYLALANINE, N-FORMYL-L-.ALPHA.-ASPARTYL-, 1-((2E,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2,4,6,8-NONATETRAENYL) 2-METHYL ESTER
    • RefChem:178989
    • DTXCID50118583
    • RETINYL FORMYL ASPARTAMATE [INCI]
    • orb1695489
    • SCHEMBL29670823
    • AKOS040753736
    • [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (3S)-3-formamido-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate
    • Q27277275
    • O~15~-{N~2~-Formyl-N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-L-alpha-asparaginyl}retinol
    • 442662-22-8

  • Applications

    Retinyl formyl aspartamate, CAS 442662-22-8, is a retinol-derived compound bearing an aspartate moiety with a formyl group. In cosmetics and personal care, it is evaluated as a vitamin A–type active ingredient and as a stabilised retinoid derivative that can improve solubility and formulation stability of retinol. In pharmaceutical contexts, it may be used as a synthetic intermediate for retinoid synthesis or as an active component in topical formulations under development. In industrial manufacturing, it can serve as a specialty intermediate or functional additive for chemical syntheses and formulations, including polymer or coating systems, where enhanced stability of light-sensitive actives is desirable.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.08
    methanol 11.92
    isopropanol 0.97
    water 0.03
    ethyl acetate 2.77
    n-propanol 2.69
    acetone 5.9
    n-butanol 1.57
    acetonitrile 1.59
    DMF 28.64
    toluene 1.25
    isobutanol 1.14
    1,4-dioxane 8.94
    methyl acetate 4.28
    THF 20.25
    2-butanone 6.02
    n-pentanol 2.54
    sec-butanol 1.41
    n-hexane 0.08
    ethylene glycol 0.63
    NMP 38.13
    cyclohexane 0.06
    DMSO 14.09
    n-butyl acetate 1.18
    n-octanol 0.92
    chloroform 13.5
    n-propyl acetate 2.68
    acetic acid 10.82
    dichloromethane 13.69
    cyclohexanone 7.34
    propylene glycol 1.64
    isopropyl acetate 1.56
    DMAc 53.71
    2-ethoxyethanol 12.38
    isopentanol 0.94
    n-heptane 0.06
    ethyl formate 3.05
    1,2-dichloroethane 4.88
    n-hexanol 0.86
    2-methoxyethanol 12.56
    isobutyl acetate 1.51
    tetrachloromethane 0.82
    n-pentyl acetate 2.07
    transcutol 20.73
    n-heptanol 1.1
    ethylbenzene 0.83
    MIBK 1.5
    2-propoxyethanol 7.51
    tert-butanol 0.78
    MTBE 1.14
    2-butoxyethanol 6.0
    propionic acid 3.44
    o-xylene 0.7
    formic acid 8.97
    diethyl ether 1.45
    m-xylene 0.64
    p-xylene 1.05
    chlorobenzene 1.96
    dimethyl carbonate 4.19
    n-octane 0.04
    formamide 9.44
    cyclopentanone 13.74
    2-pentanone 3.28
    anisole 4.27
    cyclopentyl methyl ether 3.53
    gamma-butyrolactone 15.94
    1-methoxy-2-propanol 7.37
    pyridine 8.96
    3-pentanone 3.18
    furfural 14.99
    n-dodecane 0.03
    diethylene glycol 3.88
    diisopropyl ether 0.22
    tert-amyl alcohol 1.18
    acetylacetone 5.41
    n-hexadecane 0.03
    acetophenone 5.1
    methyl propionate 4.47
    isopentyl acetate 1.09
    trichloroethylene 16.47
    n-nonanol 1.01
    cyclohexanol 0.94
    benzyl alcohol 4.16
    2-ethylhexanol 0.52
    isooctanol 0.83
    dipropyl ether 1.11
    1,2-dichlorobenzene 2.21
    ethyl lactate 2.69
    propylene carbonate 4.88
    n-methylformamide 10.82
    2-pentanol 0.68
    n-pentane 0.05
    1-propoxy-2-propanol 3.7
    1-methoxy-2-propyl acetate 3.01
    2-(2-methoxypropoxy) propanol 5.9
    mesitylene 0.28
    ε-caprolactone 7.65
    p-cymene 0.28
    epichlorohydrin 19.86
    1,1,1-trichloroethane 2.52
    2-aminoethanol 2.1
    morpholine-4-carbaldehyde 29.62
    sulfolane 21.63
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 5.55
    n-hexyl acetate 2.28
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.6
    sec-butyl acetate 1.65
    tert-butyl acetate 1.69
    decalin 0.06
    glycerin 2.86
    diglyme 17.01
    acrylic acid 4.51
    isopropyl myristate 0.57
    n-butyric acid 3.71
    acetyl acetate 2.5
    di(2-ethylhexyl) phthalate 1.23
    ethyl propionate 2.68
    nitromethane 20.46
    1,2-diethoxyethane 3.84
    benzonitrile 2.03
    trioctyl phosphate 0.63
    1-bromopropane 1.44
    gamma-valerolactone 32.68
    n-decanol 0.58
    triethyl phosphate 1.2
    4-methyl-2-pentanol 0.38
    propionitrile 1.57
    vinylene carbonate 6.04
    1,1,2-trichlorotrifluoroethane 18.83
    DMS 2.39
    cumene 0.51
    2-octanol 0.6
    2-hexanone 3.76
    octyl acetate 1.03
    limonene 0.32
    1,2-dimethoxyethane 17.71
    ethyl orthosilicate 1.25
    tributyl phosphate 0.74
    diacetone alcohol 3.41
    N,N-dimethylaniline 3.28
    acrylonitrile 2.95
    aniline 1.98
    1,3-propanediol 2.59
    bromobenzene 1.93
    dibromomethane 4.65
    1,1,2,2-tetrachloroethane 11.76
    2-methyl-cyclohexyl acetate 1.69
    tetrabutyl urea 1.5
    diisobutyl methanol 0.21
    2-phenylethanol 2.22
    styrene 1.04
    dioctyl adipate 1.69
    dimethyl sulfate 8.42
    ethyl butyrate 1.65
    methyl lactate 4.28
    butyl lactate 2.41
    diethyl carbonate 1.01
    propanediol butyl ether 4.62
    triethyl orthoformate 1.77
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 4.08
    morpholine 12.24
    tert-butylamine 0.28
    n-dodecanol 0.33
    dimethoxymethane 15.74
    ethylene carbonate 3.62
    cyrene 11.06
    2-ethoxyethyl acetate 4.85
    2-ethylhexyl acetate 0.91
    1,2,4-trichlorobenzene 3.57
    4-methylpyridine 5.89
    dibutyl ether 0.99
    2,6-dimethyl-4-heptanol 0.21
    DEF 7.15
    dimethyl isosorbide 9.18
    tetrachloroethylene 6.88
    eugenol 4.66
    triacetin 4.43
    span 80 3.92
    1,4-butanediol 1.82
    1,1-dichloroethane 2.7
    2-methyl-1-pentanol 1.81
    methyl formate 8.78
    2-methyl-1-butanol 1.27
    n-decane 0.07
    butyronitrile 1.25
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.37
    1-chlorotetradecane 0.11
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.06
    cyclooctane 0.03
    cyclopentanol 1.71
    tetrahydropyran 3.84
    tert-amyl methyl ether 1.28
    2,5,8-trioxanonane 10.3
    1-hexene 0.45
    2-isopropoxyethanol 6.09
    2,2,2-trifluoroethanol 3.2
    methyl butyrate 4.2

    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