Cyclolinopeptide A

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  • Identifiers

    CAS number
    33302-55-5

    Molecular formula
    C57H85N9O9

    SMILES
    CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCCC2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(C)C)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.69%
    Cooling 28.76%
    Nutty 25.38%
    Roasted 24.49%
    Mint 23.26%
    Popcorn 22.88%
    Spicy 20.12%
    Burnt 20.07%
    Savory 19.43%
    Bitter 17.33%

     

    Flavor
    Bitter 78.9%
    Cedarleaf 21.32%
    Herbal 20.66%
    Lovage 19.43%
    Nitrile 19.2%
    Basil 18.5%
    Green pepper 18.35%
    Leaves 18.31%
    Butyric 18.06%
    Sweet-like 18.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    7.18 (neutral)

    Molecular weight
    1040.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5148°C

    Flash point

    • 295.57 ˚C est.

  • Synonyms

    • cyclolinopeptide A
    • 33302-55-5
    • (9S,12R,15S,18S,21S,24R,27S,30S)-24,27-dibenzyl-15-((2S)-butan-2-yl)-9,12,21-tris(2-methylpropyl)-18-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo(28.3.0.0^(3,7))tritriacontane-2,8,11,14,17,20,23,26,29-nonone
    • (9S,12R,15S,18S,21S,24R,27S,30S)-24,27-dibenzyl-15-[(2S)-butan-2-yl]-9,12,21-tris(2-methylpropyl)-18-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^{3,7}]tritriacontane-2,8,11,14,17,20,23,26,29-nonone
    • RefChem:919405
    • 33302-55-5

  • Applications

    Cyclolinopeptide A (CAS number: 33302-55-5) is a naturally occurring cyclic peptide isolated from flaxseed oil. It is primarily used in pharmaceutical and biochemical research as a model cyclic peptide and as a lead compound in studies of peptide conformation and bioactivity; it also serves as an analytical reference material in natural product chemistry and method development for cyclic peptides; researchers evaluate its bioactivity for potential pharmacological leads and it is used as a research reagent in peptide synthesis and cyclization studies, with its use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.8
    methanol 41.36
    isopropanol 20.27
    water 0.34
    ethyl acetate 48.99
    n-propanol 24.33
    acetone 70.92
    n-butanol 18.19
    acetonitrile 23.01
    DMF 148.87
    toluene 16.56
    isobutanol 16.54
    1,4-dioxane 64.74
    methyl acetate 60.85
    THF 158.14
    2-butanone 72.13
    n-pentanol 20.45
    sec-butanol 21.07
    n-hexane 0.97
    ethylene glycol 13.75
    NMP 354.07
    cyclohexane 1.07
    DMSO 103.01
    n-butyl acetate 35.6
    n-octanol 12.0
    chloroform 85.69
    n-propyl acetate 38.32
    acetic acid 196.98
    dichloromethane 62.77
    cyclohexanone 105.9
    propylene glycol 26.15
    isopropyl acetate 35.35
    DMAc 280.54
    2-ethoxyethanol 78.65
    isopentanol 14.71
    n-heptane 0.78
    ethyl formate 45.53
    1,2-dichloroethane 38.28
    n-hexanol 13.41
    2-methoxyethanol 98.49
    isobutyl acetate 22.05
    tetrachloromethane 12.04
    n-pentyl acetate 43.69
    transcutol 196.1
    n-heptanol 13.43
    ethylbenzene 7.25
    MIBK 23.89
    2-propoxyethanol 80.77
    tert-butanol 16.59
    MTBE 15.02
    2-butoxyethanol 67.17
    propionic acid 69.56
    o-xylene 10.44
    formic acid 85.45
    diethyl ether 15.85
    m-xylene 9.12
    p-xylene 12.11
    chlorobenzene 27.96
    dimethyl carbonate 51.99
    n-octane 0.57
    formamide 78.75
    cyclopentanone 166.32
    2-pentanone 49.17
    anisole 17.14
    cyclopentyl methyl ether 38.57
    gamma-butyrolactone 228.59
    1-methoxy-2-propanol 76.5
    pyridine 76.37
    3-pentanone 39.63
    furfural 173.72
    n-dodecane 0.51
    diethylene glycol 65.5
    diisopropyl ether 4.09
    tert-amyl alcohol 20.2
    acetylacetone 87.3
    n-hexadecane 0.57
    acetophenone 40.75
    methyl propionate 57.08
    isopentyl acetate 29.54
    trichloroethylene 113.03
    n-nonanol 11.82
    cyclohexanol 18.3
    benzyl alcohol 33.44
    2-ethylhexanol 8.18
    isooctanol 9.85
    dipropyl ether 9.94
    1,2-dichlorobenzene 26.53
    ethyl lactate 35.74
    propylene carbonate 115.12
    n-methylformamide 77.28
    2-pentanol 12.85
    n-pentane 0.83
    1-propoxy-2-propanol 52.48
    1-methoxy-2-propyl acetate 55.32
    2-(2-methoxypropoxy) propanol 50.76
    mesitylene 4.44
    ε-caprolactone 124.7
    p-cymene 4.62
    epichlorohydrin 157.86
    1,1,1-trichloroethane 41.79
    2-aminoethanol 26.23
    morpholine-4-carbaldehyde 229.57
    sulfolane 275.11
    2,2,4-trimethylpentane 0.59
    2-methyltetrahydrofuran 68.86
    n-hexyl acetate 42.14
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 79.87
    sec-butyl acetate 24.52
    tert-butyl acetate 26.88
    decalin 0.73
    glycerin 54.02
    diglyme 120.29
    acrylic acid 89.02
    isopropyl myristate 9.91
    n-butyric acid 72.76
    acetyl acetate 52.17
    di(2-ethylhexyl) phthalate 19.69
    ethyl propionate 30.28
    nitromethane 201.29
    1,2-diethoxyethane 44.09
    benzonitrile 32.76
    trioctyl phosphate 12.27
    1-bromopropane 16.54
    gamma-valerolactone 298.54
    n-decanol 7.76
    triethyl phosphate 14.47
    4-methyl-2-pentanol 7.1
    propionitrile 21.45
    vinylene carbonate 106.51
    1,1,2-trichlorotrifluoroethane 185.18
    DMS 52.14
    cumene 4.76
    2-octanol 9.13
    2-hexanone 38.63
    octyl acetate 17.82
    limonene 5.95
    1,2-dimethoxyethane 75.1
    ethyl orthosilicate 12.54
    tributyl phosphate 14.58
    diacetone alcohol 49.82
    N,N-dimethylaniline 14.76
    acrylonitrile 35.71
    aniline 28.37
    1,3-propanediol 39.33
    bromobenzene 24.82
    dibromomethane 34.88
    1,1,2,2-tetrachloroethane 90.68
    2-methyl-cyclohexyl acetate 21.68
    tetrabutyl urea 23.26
    diisobutyl methanol 3.72
    2-phenylethanol 29.19
    styrene 8.94
    dioctyl adipate 20.59
    dimethyl sulfate 100.63
    ethyl butyrate 23.31
    methyl lactate 69.75
    butyl lactate 49.6
    diethyl carbonate 16.33
    propanediol butyl ether 76.89
    triethyl orthoformate 18.9
    p-tert-butyltoluene 4.29
    methyl 4-tert-butylbenzoate 39.34
    morpholine 87.77
    tert-butylamine 5.8
    n-dodecanol 5.01
    dimethoxymethane 78.02
    ethylene carbonate 79.31
    cyrene 81.36
    2-ethoxyethyl acetate 85.35
    2-ethylhexyl acetate 23.13
    1,2,4-trichlorobenzene 42.93
    4-methylpyridine 65.97
    dibutyl ether 11.1
    2,6-dimethyl-4-heptanol 3.72
    DEF 72.39
    dimethyl isosorbide 77.86
    tetrachloroethylene 55.79
    eugenol 41.63
    triacetin 63.74
    span 80 44.2
    1,4-butanediol 22.88
    1,1-dichloroethane 40.3
    2-methyl-1-pentanol 17.55
    methyl formate 74.83
    2-methyl-1-butanol 16.3
    n-decane 0.93
    butyronitrile 18.48
    3,7-dimethyl-1-octanol 8.46
    1-chlorooctane 5.0
    1-chlorotetradecane 1.8
    n-nonane 0.78
    undecane 0.66
    tert-butylcyclohexane 0.63
    cyclooctane 0.45
    cyclopentanol 36.73
    tetrahydropyran 38.56
    tert-amyl methyl ether 14.65
    2,5,8-trioxanonane 64.85
    1-hexene 4.46
    2-isopropoxyethanol 51.92
    2,2,2-trifluoroethanol 90.65
    methyl butyrate 42.0

    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