DL-histidine

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  • Identifiers

    CAS number
    4998-57-6

    Molecular formula
    C6H9N3O2

    SMILES
    C1=C(NC=N1)CC(C(=O)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 84.78%
    Savory 32.07%
    Meaty 24.38%
    Cooked 22.04%
    Roasted 19.0%
    Popcorn 18.62%
    Nutty 17.98%
    Cocoa 17.89%
    Milky 16.42%
    Bitter 15.98%

     

    Flavor
    Bitter 70.41%
    Odorless 64.62%
    Bland 33.32%
    Mild 30.58%
    Sweet-like 23.3%
    Very mild 22.97%
    Yeast 21.29%
    Nitrile 20.49%
    Bread crust 19.85%
    Roasted peanuts 19.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.2

    pKa est.
    5.76 (weak acid)

    Molecular weight
    155.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    425°C

    Flash point

    • 238.8 ˚C est.

  • Synonyms

    • DL-HISTIDINE
    • 4998-57-6
    • 2-amino-3-(1H-imidazol-5-yl)propanoic acid
    • Histidine, DL-
    • QU6SDF3Q03
    • DL-2-Amino-3-(4-imidazolyl)propionsaeure
    • DTXSID00901785
    • RefChem:1083902
    • DTXCID40196658
    • 225-660-9
    • 2-azaniumyl-3-(1H-imidazol-5-yl)propanoate
    • 2-amino-3-(1H-imidazol-4-yl)propanoic acid
    • H-DL-His-OH
    • D,L-histidine
    • L-Histidine Base
    • 26062-48-6
    • MFCD00005208
    • 184709-11-3
    • (+/-)-2-Amino-3-(4-imidazolyl)propionic acid
    • POLY-L-HISTIDINE HYDROCHLORIDE MW
    • histidin
    • 7006-35-1
    • UNII-QU6SDF3Q03
    • Histidine #
    • EINECS 225-660-9
    • (R)-2-Amino-3-(4-imidazolyl)propionic acid
    • (S)-2-Amino-3-(4-imidazolyl)propionic acid
    • DL-His-OH
    • DL-Histidine, free base
    • His108
    • 2-Amino-3-(1H-imidazol-4-yl)-propionic acid
    • SCHEMBL3258
    • (+/-)-HISTIDINE
    • SCHEMBL137600
    • orb3025619
    • SCHEMBL1119640
    • 1H-IMIDAZOLE-4-ALANINE
    • BDBM81938
    • NSC_773
    • DL-Histidine, >=99% (TLC)
    • BB_NC-02213
    • EBC-47426
    • NSC620356
    • PDSP1_000116
    • PDSP2_000116
    • AKOS000269100
    • AKOS015906006
    • AKOS016037364
    • 1H-Imidazole-4-propanoic acid, (S)-
    • CS-W010925
    • EBC-249102
    • FD21675
    • FH47225
    • HY-W010209
    • NSC-620356
    • CAS_71-00-1
    • 2-Amino-3-(4-imidazolyl)propionic acid
    • AS-13497
    • SY034142
    • D-2-Amino-3-(4-imidazolyl)propionic acid
    • DB-048737
    • DB-297233
    • DL-Histidine, puriss., >=99.0% (NT)
    • DS-012903
    • 2-amino-3-(1H-imidazol-4-yl)propanoicacid
    • H0148
    • NS00005578
    • propanoic acid, 2-amino-3-(4-imidazolyl)-
    • 2-amino-3-(3H-imidazol-4-yl)propanoic acid
    • EN300-33906
    • C00768
    • H-2300
    • AB00514095-02
    • F222292
    • SR-01000596947
    • SR-01000596947-1
    • A5ADA56C-5114-4DBC-8F27-B4AD58E79ACD
    • Q27103201
    • F0452-7577
    • Z1259162152
    • HHI
    • 4998-57-6

  • Applications

    DL-histidine (CAS 4998-57-6) is used as a feed additive and nutritional supplement for animals; as a buffering and pH-adjusting component that helps stabilize proteins in pharmaceutical and biotech formulations; as a chemical intermediate for the synthesis of histidine-containing compounds and peptides; as a reference standard in analytical laboratories for amino acid analysis such as HPLC; and in cosmetics and personal care as a conditioning or humectant ingredient. In research and development, it can serve as a building block for histidine-containing polymers and for purification-related applications involving histidine residues.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.15
    methanol 0.49
    isopropanol 0.39
    water 42.17
    ethyl acetate 0.5
    n-propanol 0.38
    acetone 0.76
    n-butanol 0.53
    acetonitrile 0.41
    DMF 248.73
    toluene 0.45
    isobutanol 0.52
    1,4-dioxane 6.91
    methyl acetate 0.32
    THF 2.82
    2-butanone 0.59
    n-pentanol 0.44
    sec-butanol 0.5
    n-hexane 0.19
    ethylene glycol 5.58
    NMP 100.36
    cyclohexane 0.51
    DMSO 35.23
    n-butyl acetate 0.38
    n-octanol 0.21
    chloroform 0.19
    n-propyl acetate 0.27
    acetic acid 4.71
    dichloromethane 0.34
    cyclohexanone 4.53
    propylene glycol 3.55
    isopropyl acetate 0.43
    DMAc 79.63
    2-ethoxyethanol 3.77
    isopentanol 0.74
    n-heptane 0.4
    ethyl formate 0.93
    1,2-dichloroethane 0.4
    n-hexanol 0.77
    2-methoxyethanol 11.04
    isobutyl acetate 0.16
    tetrachloromethane 0.21
    n-pentyl acetate 0.26
    transcutol 2.52
    n-heptanol 0.59
    ethylbenzene 0.33
    MIBK 0.56
    2-propoxyethanol 3.74
    tert-butanol 0.99
    MTBE 0.34
    2-butoxyethanol 2.38
    propionic acid 1.41
    o-xylene 0.97
    formic acid 38.42
    diethyl ether 0.31
    m-xylene 0.62
    p-xylene 0.61
    chlorobenzene 0.24
    dimethyl carbonate 1.48
    n-octane 0.12
    formamide 21.54
    cyclopentanone 4.31
    2-pentanone 0.77
    anisole 0.45
    cyclopentyl methyl ether 2.05
    gamma-butyrolactone 5.62
    1-methoxy-2-propanol 6.03
    pyridine 2.17
    3-pentanone 0.94
    furfural 11.08
    n-dodecane 0.05
    diethylene glycol 9.75
    diisopropyl ether 0.21
    tert-amyl alcohol 0.86
    acetylacetone 1.64
    n-hexadecane 0.06
    acetophenone 1.07
    methyl propionate 1.05
    isopentyl acetate 0.38
    trichloroethylene 0.53
    n-nonanol 0.26
    cyclohexanol 2.07
    benzyl alcohol 1.19
    2-ethylhexanol 0.59
    isooctanol 0.48
    dipropyl ether 0.82
    1,2-dichlorobenzene 0.33
    ethyl lactate 0.99
    propylene carbonate 2.44
    n-methylformamide 15.7
    2-pentanol 0.48
    n-pentane 0.14
    1-propoxy-2-propanol 2.1
    1-methoxy-2-propyl acetate 1.16
    2-(2-methoxypropoxy) propanol 2.18
    mesitylene 0.55
    ε-caprolactone 3.97
    p-cymene 0.47
    epichlorohydrin 2.09
    1,1,1-trichloroethane 0.2
    2-aminoethanol 4.62
    morpholine-4-carbaldehyde 57.22
    sulfolane 20.16
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 1.59
    n-hexyl acetate 0.24
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 2.51
    sec-butyl acetate 0.21
    tert-butyl acetate 0.48
    decalin 0.16
    glycerin 24.22
    diglyme 4.91
    acrylic acid 3.19
    isopropyl myristate 0.16
    n-butyric acid 1.64
    acetyl acetate 0.5
    di(2-ethylhexyl) phthalate 0.5
    ethyl propionate 0.41
    nitromethane 5.48
    1,2-diethoxyethane 0.51
    benzonitrile 0.74
    trioctyl phosphate 0.37
    1-bromopropane 0.19
    gamma-valerolactone 17.78
    n-decanol 0.24
    triethyl phosphate 0.67
    4-methyl-2-pentanol 0.38
    propionitrile 0.36
    vinylene carbonate 2.38
    1,1,2-trichlorotrifluoroethane 8.99
    DMS 0.53
    cumene 0.32
    2-octanol 0.27
    2-hexanone 0.39
    octyl acetate 0.22
    limonene 0.61
    1,2-dimethoxyethane 5.88
    ethyl orthosilicate 0.69
    tributyl phosphate 0.33
    diacetone alcohol 2.13
    N,N-dimethylaniline 1.2
    acrylonitrile 0.87
    aniline 1.08
    1,3-propanediol 4.21
    bromobenzene 0.19
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 0.78
    2-methyl-cyclohexyl acetate 0.55
    tetrabutyl urea 0.98
    diisobutyl methanol 0.47
    2-phenylethanol 1.01
    styrene 0.25
    dioctyl adipate 0.32
    dimethyl sulfate 6.17
    ethyl butyrate 0.53
    methyl lactate 3.72
    butyl lactate 0.85
    diethyl carbonate 0.34
    propanediol butyl ether 2.12
    triethyl orthoformate 0.74
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 1.47
    morpholine 8.82
    tert-butylamine 0.45
    n-dodecanol 0.22
    dimethoxymethane 7.38
    ethylene carbonate 1.85
    cyrene 8.19
    2-ethoxyethyl acetate 0.46
    2-ethylhexyl acetate 0.35
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 2.04
    dibutyl ether 0.22
    2,6-dimethyl-4-heptanol 0.47
    DEF 9.11
    dimethyl isosorbide 3.93
    tetrachloroethylene 0.85
    eugenol 2.18
    triacetin 0.63
    span 80 2.13
    1,4-butanediol 2.37
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 0.52
    methyl formate 6.58
    2-methyl-1-butanol 0.75
    n-decane 0.08
    butyronitrile 0.45
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.1
    1-chlorotetradecane 0.07
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.08
    cyclooctane 0.25
    cyclopentanol 2.48
    tetrahydropyran 1.8
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 4.48
    1-hexene 0.24
    2-isopropoxyethanol 1.69
    2,2,2-trifluoroethanol 5.79
    methyl butyrate 0.77

    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