Asterin

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  • Identifiers

    CAS number
    128808-27-5

    Molecular formula
    C25H33Cl2N5O6

    SMILES
    CCC(C(=O)[C@@](C=O)([C@@H](C(=O)C(C=N)C1=CC=CC=C1)O)N(C(=O)[C@@H]2C([C@@H](CN2)Cl)Cl)C(=O)C(CC)N)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.36%
    Savory 29.57%
    Cooling 27.95%
    Fishy 18.8%
    Meaty 18.11%
    Bitter 17.98%
    Cooked 16.54%
    Mint 16.11%
    Sweet 15.65%
    Milky 15.27%

     

    Flavor
    Bitter 82.3%
    Odorless 42.01%
    Bland 28.98%
    Sweet-like 20.53%
    Nitrile 19.24%
    Cedarleaf 18.03%
    Yeast 17.75%
    Oriental 17.61%
    Taco 17.47%
    Heather 17.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.96 (weak acid)

    Molecular weight
    570.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1566°C

    Flash point

    • 215.39 ˚C est.

  • Synonyms

    • RefChem:115276
    • 128808-27-5
    • Asterin
    • Asterin (peptide)
    • SCHEMBL31123097
    • Cyclo((R)-3-phenyl-beta-alanyl-L-2-aminobutanoyl-(2alpha,3alpha,4alpha)-3,4-dichloro-L-prolyl-L-2-aminobutanoyl-L-seryl)
    • 128808-27-5

  • Applications

    Asterin (CAS 128808-27-5) is viewed as an intermediate for organic synthesis in specialty chemical production, and may be used as a solvent or processing aid in certain industrial formulations; it can act as a stabilizer or additive in plastics and coatings/inks; it may serve as an additive in cleaning formulations or as a processing aid in surface-treatment systems; and it can be explored as a chemical intermediate in dedicated manufacturing processes, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.57
    methanol 155.29
    isopropanol 21.48
    water 7.24
    ethyl acetate 26.1
    n-propanol 36.13
    acetone 50.24
    n-butanol 24.97
    acetonitrile 24.38
    DMF 246.87
    toluene 4.08
    isobutanol 16.72
    1,4-dioxane 31.22
    methyl acetate 38.13
    THF 87.12
    2-butanone 37.02
    n-pentanol 16.96
    sec-butanol 18.24
    n-hexane 0.31
    ethylene glycol 87.11
    NMP 425.38
    cyclohexane 0.61
    DMSO 180.9
    n-butyl acetate 10.87
    n-octanol 2.92
    chloroform 33.62
    n-propyl acetate 13.71
    acetic acid 396.3
    dichloromethane 40.14
    cyclohexanone 62.93
    propylene glycol 95.63
    isopropyl acetate 12.56
    DMAc 271.7
    2-ethoxyethanol 72.56
    isopentanol 12.8
    n-heptane 0.29
    ethyl formate 47.81
    1,2-dichloroethane 23.12
    n-hexanol 9.21
    2-methoxyethanol 181.3
    isobutyl acetate 5.39
    tetrachloromethane 6.44
    n-pentyl acetate 10.91
    transcutol 49.86
    n-heptanol 6.69
    ethylbenzene 1.76
    MIBK 9.56
    2-propoxyethanol 48.95
    tert-butanol 11.47
    MTBE 4.35
    2-butoxyethanol 34.4
    propionic acid 87.03
    o-xylene 2.97
    formic acid 491.7
    diethyl ether 6.74
    m-xylene 2.21
    p-xylene 2.4
    chlorobenzene 7.59
    dimethyl carbonate 60.13
    n-octane 0.16
    formamide 373.96
    cyclopentanone 107.39
    2-pentanone 24.96
    anisole 7.05
    cyclopentyl methyl ether 17.54
    gamma-butyrolactone 179.59
    1-methoxy-2-propanol 93.18
    pyridine 44.87
    3-pentanone 19.42
    furfural 172.13
    n-dodecane 0.09
    diethylene glycol 84.83
    diisopropyl ether 1.14
    tert-amyl alcohol 11.4
    acetylacetone 44.65
    n-hexadecane 0.1
    acetophenone 16.63
    methyl propionate 43.72
    isopentyl acetate 7.61
    trichloroethylene 64.87
    n-nonanol 2.95
    cyclohexanol 18.43
    benzyl alcohol 22.49
    2-ethylhexanol 3.35
    isooctanol 3.75
    dipropyl ether 3.53
    1,2-dichlorobenzene 8.29
    ethyl lactate 29.38
    propylene carbonate 89.95
    n-methylformamide 186.44
    2-pentanol 9.9
    n-pentane 0.44
    1-propoxy-2-propanol 24.07
    1-methoxy-2-propyl acetate 23.84
    2-(2-methoxypropoxy) propanol 18.17
    mesitylene 1.05
    ε-caprolactone 75.48
    p-cymene 1.17
    epichlorohydrin 107.06
    1,1,1-trichloroethane 14.87
    2-aminoethanol 98.95
    morpholine-4-carbaldehyde 210.17
    sulfolane 290.3
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 30.37
    n-hexyl acetate 7.86
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 25.44
    sec-butyl acetate 6.96
    tert-butyl acetate 8.46
    decalin 0.27
    glycerin 222.36
    diglyme 45.31
    acrylic acid 143.45
    isopropyl myristate 1.76
    n-butyric acid 78.36
    acetyl acetate 26.35
    di(2-ethylhexyl) phthalate 5.63
    ethyl propionate 13.05
    nitromethane 302.95
    1,2-diethoxyethane 8.02
    benzonitrile 16.3
    trioctyl phosphate 4.26
    1-bromopropane 6.51
    gamma-valerolactone 220.92
    n-decanol 1.95
    triethyl phosphate 6.81
    4-methyl-2-pentanol 3.84
    propionitrile 17.61
    vinylene carbonate 93.89
    1,1,2-trichlorotrifluoroethane 255.0
    DMS 17.4
    cumene 1.16
    2-octanol 2.69
    2-hexanone 13.07
    octyl acetate 3.88
    limonene 1.73
    1,2-dimethoxyethane 45.51
    ethyl orthosilicate 5.45
    tributyl phosphate 4.47
    diacetone alcohol 31.58
    N,N-dimethylaniline 5.78
    acrylonitrile 39.05
    aniline 17.43
    1,3-propanediol 97.16
    bromobenzene 5.18
    dibromomethane 15.3
    1,1,2,2-tetrachloroethane 44.46
    2-methyl-cyclohexyl acetate 7.08
    tetrabutyl urea 7.08
    diisobutyl methanol 1.38
    2-phenylethanol 13.34
    styrene 2.44
    dioctyl adipate 4.84
    dimethyl sulfate 124.09
    ethyl butyrate 8.67
    methyl lactate 105.79
    butyl lactate 21.93
    diethyl carbonate 7.71
    propanediol butyl ether 34.91
    triethyl orthoformate 7.14
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 14.18
    morpholine 60.62
    tert-butylamine 3.44
    n-dodecanol 1.24
    dimethoxymethane 85.73
    ethylene carbonate 63.04
    cyrene 67.79
    2-ethoxyethyl acetate 22.16
    2-ethylhexyl acetate 5.53
    1,2,4-trichlorobenzene 14.57
    4-methylpyridine 30.11
    dibutyl ether 1.64
    2,6-dimethyl-4-heptanol 1.38
    DEF 57.23
    dimethyl isosorbide 35.35
    tetrachloroethylene 34.39
    eugenol 20.71
    triacetin 19.2
    span 80 18.45
    1,4-butanediol 43.68
    1,1-dichloroethane 15.67
    2-methyl-1-pentanol 10.4
    methyl formate 156.4
    2-methyl-1-butanol 15.42
    n-decane 0.16
    butyronitrile 14.55
    3,7-dimethyl-1-octanol 1.81
    1-chlorooctane 0.86
    1-chlorotetradecane 0.33
    n-nonane 0.14
    undecane 0.11
    tert-butylcyclohexane 0.17
    cyclooctane 0.22
    cyclopentanol 36.45
    tetrahydropyran 18.03
    tert-amyl methyl ether 4.98
    2,5,8-trioxanonane 26.69
    1-hexene 1.49
    2-isopropoxyethanol 29.0
    2,2,2-trifluoroethanol 197.03
    methyl butyrate 21.23

    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