Norleucine, (+-)-

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  • Identifiers

    CAS number
    616-06-8

    Molecular formula
    C6H13NO2

    SMILES
    CCCCC(C(=O)O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 43.19%
    Cheesy 33.47%
    Green 33.07%
    Herbal 26.27%
    Oily 26.04%
    Cooling 25.66%
    Savory 22.66%
    Fruity 22.64%
    Mint 22.43%
    Fresh 21.25%

     

    Flavor
    Odorless 45.51%
    Mild 31.82%
    Sulfury 25.19%
    Bland 23.64%
    Green 21.01%
    Acidic 20.93%
    Cultured dairy 20.53%
    Cheese 20.31%
    Bay oil 20.1%
    Stinky 20.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    6.07 (neutral)

    Molecular weight
    131.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    250°C

    Flash point

    • 122.92 ˚C est.

  • Synonyms

    • DL-Norleucine
    • 616-06-8
    • Norleucine, DL-
    • (+-)-Norleucine
    • 5C81BE5GKK
    • EINECS 210-462-7
    • NSC 203799
    • NSC-203799
    • DTXSID40861874
    • Norleucine, (+-)-
    • RefChem:854736
    • DTXCID90810731
    • 210-462-7
    • 2-azaniumylhexanoate
    • InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9
    • 2-Aminohexanoic acid
    • H-DL-Nle-OH
    • Hexanoic acid, amino-
    • (+/-)-Norleucine
    • 2-Aminohexanoic acid, dl-
    • DL-2-Aminohexanoic Acid
    • Norleucine, (+/-)-
    • MFCD00064422
    • DL-.alpha.-Aminocaproic acid
    • NSC74430
    • NSC203799
    • Hexanoic acid, (S)-
    • 2-amino-hexanoic acid
    • .alpha.-Aminocaproic acid
    • DL-alpha-Aminocaproic acid
    • UNII-5C81BE5GKK
    • 2-Aminohexanoicacid
    • (.+-.)-Norleucine
    • NORLEUCINE, (L)
    • (.+/-.)-Norleucine
    • SCHEMBL8392
    • (+/-)-2-Aminocaproic acid
    • SCHEMBL298754
    • orb3027181
    • SCHEMBL1303578
    • SCHEMBL5166560
    • SCHEMBL8908369
    • NORLEUCINE DL-FORM [MI]
    • CHEBI:36405
    • 496-90-2
    • BB_SC-08743
    • NSC10378
    • BBL011583
    • EBC-47189
    • NSC-74430
    • STK943761
    • AKOS000201118
    • AKOS016053503
    • CS-W013425
    • FN09068
    • HY-W012709
    • SB75379
    • AS-17286
    • DA-53909
    • SY038236
    • DB-048259
    • N0302
    • NS00015352
    • ST51037365
    • EN300-18344
    • (+/-)-2-Aminocaproic acid, 2-Aminohexanoic acid
    • 616N068
    • F045400
    • Q27116817
    • Z57127434
    • F2191-0205
    • 0FF7D875-44F8-41FA-8C5A-94108672BD95
    • 616-06-8

  • Applications

    Norleucine, (+-), CAS 616-06-8 is a non-proteinogenic amino acid used primarily as a building block in peptide and peptidomimetic synthesis for pharmaceuticals, and as an intermediate in organic synthesis to introduce hydrophobic aliphatic side chains. It is commonly used as an analytical standard/internal standard for amino acid analysis by HPLC/LC-MS, and as a chiral building block for asymmetric synthesis in pharmaceutical development. Additionally, it serves as a research reagent in enzymology to probe substrate specificity of enzymes that accommodate leucine-like residues.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.62
    methanol 13.96
    isopropanol 2.98
    water 20.34
    ethyl acetate 1.32
    n-propanol 2.64
    acetone 1.09
    n-butanol 2.13
    acetonitrile 0.83
    DMF 8.55
    toluene 0.33
    isobutanol 3.22
    1,4-dioxane 3.67
    methyl acetate 1.06
    THF 6.96
    2-butanone 1.0
    n-pentanol 2.51
    sec-butanol 2.32
    n-hexane 0.2
    ethylene glycol 30.19
    NMP 50.67
    cyclohexane 0.3
    DMSO 54.66
    n-butyl acetate 4.08
    n-octanol 2.61
    chloroform 1.11
    n-propyl acetate 1.47
    acetic acid 36.92
    dichloromethane 1.52
    cyclohexanone 8.21
    propylene glycol 22.26
    isopropyl acetate 1.76
    DMAc 16.61
    2-ethoxyethanol 12.28
    isopentanol 4.13
    n-heptane 0.36
    ethyl formate 2.9
    1,2-dichloroethane 1.15
    n-hexanol 6.02
    2-methoxyethanol 18.95
    isobutyl acetate 1.6
    tetrachloromethane 0.66
    n-pentyl acetate 2.83
    transcutol 30.77
    n-heptanol 5.0
    ethylbenzene 0.66
    MIBK 2.19
    2-propoxyethanol 19.28
    tert-butanol 7.43
    MTBE 1.35
    2-butoxyethanol 14.42
    propionic acid 12.32
    o-xylene 1.27
    formic acid 64.26
    diethyl ether 0.34
    m-xylene 1.02
    p-xylene 1.09
    chlorobenzene 1.01
    dimethyl carbonate 1.45
    n-octane 0.21
    formamide 32.62
    cyclopentanone 9.0
    2-pentanone 1.14
    anisole 1.53
    cyclopentyl methyl ether 2.63
    gamma-butyrolactone 19.05
    1-methoxy-2-propanol 12.21
    pyridine 2.12
    3-pentanone 0.82
    furfural 27.12
    n-dodecane 0.21
    diethylene glycol 37.89
    diisopropyl ether 0.61
    tert-amyl alcohol 6.59
    acetylacetone 4.81
    n-hexadecane 0.23
    acetophenone 3.92
    methyl propionate 1.52
    isopentyl acetate 6.0
    trichloroethylene 2.59
    n-nonanol 2.71
    cyclohexanol 5.27
    benzyl alcohol 4.7
    2-ethylhexanol 4.66
    isooctanol 5.04
    dipropyl ether 1.24
    1,2-dichlorobenzene 2.31
    ethyl lactate 5.31
    propylene carbonate 14.17
    n-methylformamide 7.35
    2-pentanol 1.57
    n-pentane 0.11
    1-propoxy-2-propanol 12.94
    1-methoxy-2-propyl acetate 8.32
    2-(2-methoxypropoxy) propanol 17.92
    mesitylene 1.3
    ε-caprolactone 12.28
    p-cymene 2.0
    epichlorohydrin 7.02
    1,1,1-trichloroethane 0.92
    2-aminoethanol 26.92
    morpholine-4-carbaldehyde 33.68
    sulfolane 69.5
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 4.07
    n-hexyl acetate 3.89
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 21.88
    sec-butyl acetate 1.53
    tert-butyl acetate 3.87
    decalin 0.52
    glycerin 55.38
    diglyme 25.02
    acrylic acid 18.99
    isopropyl myristate 2.27
    n-butyric acid 11.85
    acetyl acetate 2.74
    di(2-ethylhexyl) phthalate 7.65
    ethyl propionate 1.44
    nitromethane 13.6
    1,2-diethoxyethane 2.92
    benzonitrile 3.01
    trioctyl phosphate 5.32
    1-bromopropane 0.38
    gamma-valerolactone 26.59
    n-decanol 2.33
    triethyl phosphate 4.45
    4-methyl-2-pentanol 2.69
    propionitrile 0.7
    vinylene carbonate 10.55
    1,1,2-trichlorotrifluoroethane 28.59
    DMS 4.51
    cumene 1.26
    2-octanol 2.43
    2-hexanone 1.34
    octyl acetate 3.28
    limonene 2.61
    1,2-dimethoxyethane 6.98
    ethyl orthosilicate 4.02
    tributyl phosphate 4.83
    diacetone alcohol 13.81
    N,N-dimethylaniline 2.69
    acrylonitrile 1.74
    aniline 1.63
    1,3-propanediol 20.68
    bromobenzene 0.82
    dibromomethane 0.89
    1,1,2,2-tetrachloroethane 3.21
    2-methyl-cyclohexyl acetate 6.98
    tetrabutyl urea 7.11
    diisobutyl methanol 3.7
    2-phenylethanol 7.3
    styrene 0.49
    dioctyl adipate 5.15
    dimethyl sulfate 7.77
    ethyl butyrate 2.93
    methyl lactate 8.58
    butyl lactate 8.15
    diethyl carbonate 2.5
    propanediol butyl ether 18.06
    triethyl orthoformate 3.71
    p-tert-butyltoluene 2.09
    methyl 4-tert-butylbenzoate 12.19
    morpholine 4.81
    tert-butylamine 2.8
    n-dodecanol 1.96
    dimethoxymethane 2.39
    ethylene carbonate 7.55
    cyrene 30.25
    2-ethoxyethyl acetate 4.78
    2-ethylhexyl acetate 4.15
    1,2,4-trichlorobenzene 3.26
    4-methylpyridine 1.73
    dibutyl ether 1.0
    2,6-dimethyl-4-heptanol 3.7
    DEF 3.52
    dimethyl isosorbide 31.47
    tetrachloroethylene 3.3
    eugenol 14.65
    triacetin 7.78
    span 80 21.34
    1,4-butanediol 12.26
    1,1-dichloroethane 0.48
    2-methyl-1-pentanol 4.35
    methyl formate 5.5
    2-methyl-1-butanol 3.36
    n-decane 0.23
    butyronitrile 0.94
    3,7-dimethyl-1-octanol 3.8
    1-chlorooctane 0.73
    1-chlorotetradecane 0.53
    n-nonane 0.2
    undecane 0.22
    tert-butylcyclohexane 0.51
    cyclooctane 0.25
    cyclopentanol 8.76
    tetrahydropyran 1.28
    tert-amyl methyl ether 1.5
    2,5,8-trioxanonane 27.92
    1-hexene 0.34
    2-isopropoxyethanol 8.81
    2,2,2-trifluoroethanol 17.09
    methyl butyrate 2.4

    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