Cyclotetrapeptide-24 aminocyclohexane carboxylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    197172-76-2

    Molecular formula
    C28H40N8O7

    SMILES
    C1CCC2(CC1)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCN=C(N)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.91%
    Savory 25.66%
    Popcorn 25.53%
    Nutty 24.32%
    Roasted 22.15%
    Meaty 22.07%
    Fishy 22.0%
    Cooked 20.09%
    Cooling 19.02%
    Burnt 18.19%

     

    Flavor
    Bitter 74.46%
    Odorless 34.08%
    Nitrile 20.64%
    Bland 20.27%
    Sweet-like 20.14%
    Cedarleaf 20.0%
    Taco 19.3%
    Mild 19.3%
    Lovage 19.22%
    Alkaline 19.05%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    8.41 (weak base)

    Molecular weight
    600.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3681°C

    Flash point

    • 272.05 ˚C est.

  • Synonyms

    • 197172-76-2
    • Cyclotetrapeptide-24 aminocyclohexane carboxylate
    • NR327745KQ
    • RefChem:1082794
    • Cyclo(1-aminocyclohexanecarbonyl-L-arginylglycyl-L-alpha-aspartyl-D-phenylalanyl)
    • 2-[(9R,12S,18S)-9-benzyl-18-[3-(diaminomethylideneamino)propyl]-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentazaspiro[5.14]icosan-12-yl]acetic acid
    • Cyclotetrapeptide-24 aminocyclohexane carboxylate [PCPC-DB]
    • CHEMBL4642869
    • 2-((9R,12S,18S)-9-Benzyl-18-(3-guanidinopropyl)-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentaazaspiro[5.14]icosan-12-yl)acetic acid
    • UNII-NR327745KQ
    • CYCLOTETRAPEPTIDE-24 AMINOCYCLOHEXANE CARBOXYLATE (PCPC-DB)
    • orb2802369
    • CHEMBL4650557
    • SCHEMBL22349778
    • SCHEMBL29853738
    • BDBM50545184
    • Q27285007
    • CYCLO(1-AMINOCYCLOHEXANECARBONYL-L-ARGINYLGLYCYL-L-.ALPHA.-ASPARTYL-D-PHENYLALANYL)
    • 197172-76-2

  • Applications

    Cyclotetrapeptide-24 aminocyclohexane carboxylate (CAS 197172-76-2) is encountered primarily as a specialty fragrance ingredient, where it can function as an odorant and, in some formulations, as a fixative to extend fragrance longevity in perfumery and cosmetic products. It may be used in cosmetics/personal care and household products (air fresheners, cleaners) to impart or stabilize a scent. In industrial manufacturing, it is evaluated as a synthetic intermediate or specialty additive in peptide- or biomaterial-related formulations. There is potential for use as a functional modifier in polymers/plastics or coatings, depending on regulatory allowances. Use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.42
    methanol 7.74
    isopropanol 1.08
    water 0.89
    ethyl acetate 0.71
    n-propanol 1.35
    acetone 1.82
    n-butanol 0.74
    acetonitrile 0.76
    DMF 16.48
    toluene 0.2
    isobutanol 0.52
    1,4-dioxane 2.16
    methyl acetate 1.14
    THF 3.71
    2-butanone 1.37
    n-pentanol 0.52
    sec-butanol 0.65
    n-hexane 0.04
    ethylene glycol 5.66
    NMP 21.69
    cyclohexane 0.03
    DMSO 22.63
    n-butyl acetate 0.29
    n-octanol 0.19
    chloroform 0.69
    n-propyl acetate 0.48
    acetic acid 13.12
    dichloromethane 0.82
    cyclohexanone 1.68
    propylene glycol 5.55
    isopropyl acetate 0.37
    DMAc 22.97
    2-ethoxyethanol 5.87
    isopentanol 0.34
    n-heptane 0.03
    ethyl formate 1.39
    1,2-dichloroethane 0.56
    n-hexanol 0.23
    2-methoxyethanol 13.31
    isobutyl acetate 0.19
    tetrachloromethane 0.16
    n-pentyl acetate 0.31
    transcutol 6.9
    n-heptanol 0.28
    ethylbenzene 0.12
    MIBK 0.28
    2-propoxyethanol 3.06
    tert-butanol 0.53
    MTBE 0.22
    2-butoxyethanol 2.4
    propionic acid 2.56
    o-xylene 0.15
    formic acid 28.9
    diethyl ether 0.39
    m-xylene 0.1
    p-xylene 0.16
    chlorobenzene 0.16
    dimethyl carbonate 2.11
    n-octane 0.02
    formamide 21.32
    cyclopentanone 3.53
    2-pentanone 0.78
    anisole 0.4
    cyclopentyl methyl ether 0.72
    gamma-butyrolactone 5.12
    1-methoxy-2-propanol 6.58
    pyridine 1.98
    3-pentanone 0.75
    furfural 6.39
    n-dodecane 0.01
    diethylene glycol 5.44
    diisopropyl ether 0.06
    tert-amyl alcohol 0.44
    acetylacetone 1.47
    n-hexadecane 0.01
    acetophenone 0.65
    methyl propionate 1.42
    isopentyl acetate 0.2
    trichloroethylene 1.11
    n-nonanol 0.21
    cyclohexanol 0.48
    benzyl alcohol 0.79
    2-ethylhexanol 0.11
    isooctanol 0.17
    dipropyl ether 0.3
    1,2-dichlorobenzene 0.17
    ethyl lactate 1.22
    propylene carbonate 1.82
    n-methylformamide 9.19
    2-pentanol 0.32
    n-pentane 0.03
    1-propoxy-2-propanol 1.61
    1-methoxy-2-propyl acetate 0.85
    2-(2-methoxypropoxy) propanol 1.83
    mesitylene 0.05
    ε-caprolactone 1.85
    p-cymene 0.05
    epichlorohydrin 3.05
    1,1,1-trichloroethane 0.23
    2-aminoethanol 5.64
    morpholine-4-carbaldehyde 14.92
    sulfolane 11.87
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.02
    n-hexyl acetate 0.29
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.03
    sec-butyl acetate 0.25
    tert-butyl acetate 0.27
    decalin 0.02
    glycerin 16.99
    diglyme 5.54
    acrylic acid 4.3
    isopropyl myristate 0.1
    n-butyric acid 1.85
    acetyl acetate 0.59
    di(2-ethylhexyl) phthalate 0.25
    ethyl propionate 0.54
    nitromethane 10.6
    1,2-diethoxyethane 0.76
    benzonitrile 0.37
    trioctyl phosphate 0.17
    1-bromopropane 0.22
    gamma-valerolactone 11.02
    n-decanol 0.15
    triethyl phosphate 0.29
    4-methyl-2-pentanol 0.12
    propionitrile 0.5
    vinylene carbonate 1.86
    1,1,2-trichlorotrifluoroethane 8.58
    DMS 0.62
    cumene 0.07
    2-octanol 0.14
    2-hexanone 0.55
    octyl acetate 0.19
    limonene 0.06
    1,2-dimethoxyethane 4.91
    ethyl orthosilicate 0.25
    tributyl phosphate 0.2
    diacetone alcohol 1.19
    N,N-dimethylaniline 0.41
    acrylonitrile 1.06
    aniline 0.67
    1,3-propanediol 5.31
    bromobenzene 0.11
    dibromomethane 0.39
    1,1,2,2-tetrachloroethane 1.12
    2-methyl-cyclohexyl acetate 0.22
    tetrabutyl urea 0.48
    diisobutyl methanol 0.05
    2-phenylethanol 0.37
    styrene 0.13
    dioctyl adipate 0.27
    dimethyl sulfate 5.09
    ethyl butyrate 0.35
    methyl lactate 4.46
    butyl lactate 0.83
    diethyl carbonate 0.26
    propanediol butyl ether 2.95
    triethyl orthoformate 0.4
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.87
    morpholine 3.7
    tert-butylamine 0.16
    n-dodecanol 0.1
    dimethoxymethane 5.81
    ethylene carbonate 1.22
    cyrene 3.47
    2-ethoxyethyl acetate 0.79
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.29
    4-methylpyridine 1.16
    dibutyl ether 0.19
    2,6-dimethyl-4-heptanol 0.05
    DEF 2.46
    dimethyl isosorbide 2.04
    tetrachloroethylene 0.89
    eugenol 1.16
    triacetin 0.86
    span 80 1.33
    1,4-butanediol 2.09
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 0.28
    methyl formate 6.54
    2-methyl-1-butanol 0.4
    n-decane 0.02
    butyronitrile 0.38
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.0
    tetrahydropyran 0.73
    tert-amyl methyl ether 0.26
    2,5,8-trioxanonane 3.4
    1-hexene 0.13
    2-isopropoxyethanol 2.15
    2,2,2-trifluoroethanol 5.98
    methyl butyrate 0.85

    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