Hexanoyl dipeptide-3 norleucine acetate

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  • Identifiers

    CAS number
    860627-90-3

    Molecular formula
    C23H45N7O6

    SMILES
    CCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC)C(=O)N.CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.04%
    Savory 39.67%
    Cooling 38.3%
    Fishy 31.65%
    Meaty 29.47%
    Mint 22.31%
    Animal 18.7%
    Cheesy 18.34%
    Cooked 17.95%
    Pungent 17.07%

     

    Flavor
    Bitter 47.8%
    Odorless 44.65%
    Bland 32.25%
    Mild 23.68%
    Sweet-like 20.31%
    Nitrile 19.37%
    Cedarleaf 18.92%
    Oriental 18.58%
    Taco 18.27%
    Scallion 18.08%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.68 (neutral)

    Molecular weight
    515.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    871°C

    Flash point

    • 260.62 ˚C est.

  • Synonyms

    • Hexanoyl dipeptide-3 norleucine acetate
    • UNII-P8A02Z93M6
    • P8A02Z93M6
    • 860627-90-3
    • DTXSID00235370
    • L-NORLEUCINAMIDE, N2-(1-OXOHEXYL)-L-ARGINYL-L-ALANYL-, MONOACETATE
    • L-NORLEUCINAMIDE, N2-(1-OXOHEXYL)-L-ARGINYL-L-ALANYL-, ACETATE (1:1)
    • RefChem:146259
    • DTXCID00157861
    • HEXANOYL DIPEPTIDE-3 NORLEUCINE ACETATE [INCI]
    • SCHEMBL29613331
    • acetic acid;(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(hexanoylamino)pentanoyl]amino]propanoyl]amino]hexanamide
    • Q27286366
    • Acetic acid--N~5~-(diaminomethylidene)-N~2~-hexanoyl-L-ornithyl-L-alanyl-L-norleucinamide (1/1)
    • 860627-90-3

  • Applications

    Hexanoyl dipeptide-3 norleucine acetate (CAS 860627-90-3) is a peptide-derived compound commonly evaluated for cosmetics and personal care as a skin-conditioning active with potential anti-aging benefits in serums and moisturizers; it is also used in pharmaceutical and biotech research as a building block or intermediate for peptide synthesis and formulation development; in dermatology formulation work, it is studied for topical delivery and skin interaction; it may also be explored for inclusion in hair care formulations as a conditioning ingredient. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.53
    methanol 14.01
    isopropanol 1.43
    water 12.79
    ethyl acetate 0.84
    n-propanol 2.34
    acetone 1.89
    n-butanol 1.29
    acetonitrile 0.82
    DMF 14.2
    toluene 0.4
    isobutanol 1.11
    1,4-dioxane 2.26
    methyl acetate 1.14
    THF 4.28
    2-butanone 1.68
    n-pentanol 1.54
    sec-butanol 1.12
    n-hexane 0.13
    ethylene glycol 8.14
    NMP 40.71
    cyclohexane 0.11
    DMSO 39.68
    n-butyl acetate 0.67
    n-octanol 0.35
    chloroform 1.49
    n-propyl acetate 0.96
    acetic acid 27.48
    dichloromethane 1.85
    cyclohexanone 4.53
    propylene glycol 8.31
    isopropyl acetate 0.55
    DMAc 29.0
    2-ethoxyethanol 10.12
    isopentanol 0.82
    n-heptane 0.06
    ethyl formate 2.44
    1,2-dichloroethane 1.3
    n-hexanol 0.67
    2-methoxyethanol 16.42
    isobutyl acetate 0.51
    tetrachloromethane 0.52
    n-pentyl acetate 0.59
    transcutol 12.66
    n-heptanol 0.58
    ethylbenzene 0.33
    MIBK 0.55
    2-propoxyethanol 5.0
    tert-butanol 0.87
    MTBE 0.3
    2-butoxyethanol 4.2
    propionic acid 5.38
    o-xylene 0.38
    formic acid 67.96
    diethyl ether 0.38
    m-xylene 0.25
    p-xylene 0.5
    chlorobenzene 0.47
    dimethyl carbonate 1.74
    n-octane 0.04
    formamide 43.35
    cyclopentanone 6.29
    2-pentanone 1.03
    anisole 0.67
    cyclopentyl methyl ether 1.23
    gamma-butyrolactone 9.78
    1-methoxy-2-propanol 6.38
    pyridine 3.04
    3-pentanone 1.07
    furfural 13.38
    n-dodecane 0.02
    diethylene glycol 9.29
    diisopropyl ether 0.11
    tert-amyl alcohol 0.99
    acetylacetone 2.07
    n-hexadecane 0.02
    acetophenone 1.63
    methyl propionate 1.47
    isopentyl acetate 0.59
    trichloroethylene 2.48
    n-nonanol 0.38
    cyclohexanol 1.32
    benzyl alcohol 2.09
    2-ethylhexanol 0.33
    isooctanol 0.38
    dipropyl ether 0.38
    1,2-dichlorobenzene 0.54
    ethyl lactate 2.08
    propylene carbonate 4.6
    n-methylformamide 10.52
    2-pentanol 0.54
    n-pentane 0.07
    1-propoxy-2-propanol 2.33
    1-methoxy-2-propyl acetate 1.51
    2-(2-methoxypropoxy) propanol 3.59
    mesitylene 0.14
    ε-caprolactone 5.22
    p-cymene 0.14
    epichlorohydrin 5.38
    1,1,1-trichloroethane 0.6
    2-aminoethanol 10.33
    morpholine-4-carbaldehyde 20.0
    sulfolane 27.34
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 1.81
    n-hexyl acetate 0.58
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.52
    sec-butyl acetate 0.57
    tert-butyl acetate 0.51
    decalin 0.07
    glycerin 23.91
    diglyme 8.98
    acrylic acid 8.86
    isopropyl myristate 0.19
    n-butyric acid 4.02
    acetyl acetate 1.0
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 0.91
    nitromethane 13.62
    1,2-diethoxyethane 1.04
    benzonitrile 0.95
    trioctyl phosphate 0.45
    1-bromopropane 0.46
    gamma-valerolactone 18.36
    n-decanol 0.28
    triethyl phosphate 0.81
    4-methyl-2-pentanol 0.27
    propionitrile 0.64
    vinylene carbonate 4.48
    1,1,2-trichlorotrifluoroethane 17.07
    DMS 1.17
    cumene 0.25
    2-octanol 0.28
    2-hexanone 1.22
    octyl acetate 0.35
    limonene 0.16
    1,2-dimethoxyethane 6.11
    ethyl orthosilicate 0.71
    tributyl phosphate 0.62
    diacetone alcohol 2.22
    N,N-dimethylaniline 0.83
    acrylonitrile 1.32
    aniline 1.28
    1,3-propanediol 9.22
    bromobenzene 0.35
    dibromomethane 0.98
    1,1,2,2-tetrachloroethane 2.54
    2-methyl-cyclohexyl acetate 0.76
    tetrabutyl urea 1.08
    diisobutyl methanol 0.14
    2-phenylethanol 1.1
    styrene 0.34
    dioctyl adipate 0.51
    dimethyl sulfate 6.48
    ethyl butyrate 0.68
    methyl lactate 4.49
    butyl lactate 1.9
    diethyl carbonate 0.54
    propanediol butyl ether 5.38
    triethyl orthoformate 0.83
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 1.63
    morpholine 4.42
    tert-butylamine 0.31
    n-dodecanol 0.19
    dimethoxymethane 3.86
    ethylene carbonate 3.11
    cyrene 8.63
    2-ethoxyethyl acetate 1.32
    2-ethylhexyl acetate 0.46
    1,2,4-trichlorobenzene 0.86
    4-methylpyridine 1.96
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.14
    DEF 3.06
    dimethyl isosorbide 4.99
    tetrachloroethylene 2.31
    eugenol 2.48
    triacetin 1.64
    span 80 2.61
    1,4-butanediol 5.3
    1,1-dichloroethane 0.63
    2-methyl-1-pentanol 1.08
    methyl formate 7.56
    2-methyl-1-butanol 0.98
    n-decane 0.04
    butyronitrile 0.59
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.12
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.04
    cyclopentanol 2.5
    tetrahydropyran 1.12
    tert-amyl methyl ether 0.41
    2,5,8-trioxanonane 5.99
    1-hexene 0.34
    2-isopropoxyethanol 4.05
    2,2,2-trifluoroethanol 14.4
    methyl butyrate 1.53

    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