Histidine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    71-00-1

    Molecular formula
    C6H9N3O2

    SMILES
    C1=C(NC=N1)C[C@@H](C(=O)O)N

    Safety labels

    Irritant
    Irritant

  • 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

    Melting point expt.

    • 287 dec °C
    • 287 °C (decomp)
    • MP: 80 °C; anhydrous, mp: 140 °C /monohydrate/
    • 287 °C

    Flash point

    • 238.8 ˚C est.

    Solubility expt.

    • 45600 mg/L (at 25 °C)
    • Fairly sol in water; insol in alcohol and ether; decomp 251-252 °C; specific optical rotation (c= 2 in 3 moles of HCl): +8.0 deg at 26 °C/D /Monohydrochloride/
    • SOL IN WATER; DECOMP AT 245 °C (ALSO REPORTED AS 196 °C); SPECIFIC OPTICAL ROTATION (C= 2) +47.6 DEG AT 20 °C/D /L-HISTIDINE DIHYDROCHLORIDE/
    • Insol in common neutral solvents except water
    • Insoluble in ethyl ether, acetone; slightly soluble in ethanol
    • In water, 4.56X10+4 mg/l @ 25 °C
    • 45.6 mg/mL
    • Soluble in water; Insoluble in ether
    • Slightly soluble (in ethanol)

  • Synonyms

    • L-histidine
    • histidine
    • 71-00-1
    • H-His-OH
    • glyoxaline-5-alanine
    • Anti-rheuma
    • histidina
    • Istidina
    • L-(-)-Histidine
    • S-Histidine
    • (L)-Histidine
    • Histidinum
    • HISTIDINE, L-
    • (S)-4-(2-Amino-2-carboxyethyl)imidazole
    • Histidine (VAN)
    • FEMA No. 3694
    • (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid
    • L-Histidin
    • (S)-alpha-amino-1H-imidazole-4-propanoic acid
    • Histidine [USAN:INN]
    • Histidinum [INN-Latin]
    • 4-(2-Amino-2-carboxyethyl)imidazole
    • (S)-Histidine
    • his
    • Histidina [INN-Spanish]
    • L-beta-(4-Imidazolyl)alanin
    • (S)-2-Amino-3-(4-imidazolyl)propionsaeure
    • L-hystidine
    • HSDB 1810
    • 1H-Imidazole-4-alanine, (S)-
    • L-Hisidine
    • AI3-26558
    • 7006-35-1
    • EINECS 200-745-3
    • L-beta-(4-Imidazolyl)-alpha-alanin
    • MFCD00064315
    • (S)-alpha-Amino-1H-imidazole-4-propionic acid
    • L-His
    • L-Alanine, 3-(1H-imidazol-4-yl)-
    • NSC 137773
    • UNII-4QD397987E
    • CHEBI:15971
    • L-His-OH
    • L-Histidine Base
    • alpha-Amino-4(or 5)-imidazolepropionic acid
    • Histidine (L-Histidine)
    • 4QD397987E
    • NSC-137773
    • alpha-Amino-1H-imidazole-4-propionic acid, (S)-
    • 1H-Imidazole-4-propanoic acid, alpha-amino-, (S)-
    • (S)-a-Amino-1H-imidazole-4-propanoic acid
    • DTXSID9023126
    • (S)-2-Amino-3-(4-imidazolyl)propionic acid
    • (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
    • HISTIDINE (II)
    • HISTIDINE [II]
    • Histidinum (INN-Latin)
    • Histidina (INN-Spanish)
    • HISTIDINE (MART.)
    • HISTIDINE [MART.]
    • (2S)-2-amino-3-(imidazol-4-yl)propanoic acid
    • HISTIDINE (EP MONOGRAPH)
    • HISTIDINE [EP MONOGRAPH]
    • HISTIDINE (USP MONOGRAPH)
    • HISTIDINE [USP MONOGRAPH]
    • Histidine, monohydrochloride
    • CHEBI:27570
    • NSC137773
    • 1hsl
    • 1lag
    • [3H]histidine
    • [3H]-histidine
    • (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid hydrochloride
    • Histidine (USP/INN)
    • HISTIDINE [INN]
    • L-Histidine (Standard)
    • HISTIDINE [MI]
    • L-Histidine (JP18)
    • L-2-Amino-3-(4-imidazolyl)propionic acid
    • HISTIDINE [HSDB]
    • HISTIDINE [USAN]
    • HISTIDINE [VANDF]
    • Lopac-H-8125
    • bmse000039
    • bmse000976
    • bmse001015
    • L-HISTIDINE [FCC]
    • L-HISTIDINE [JAN]
    • L-Histidine (H-His-OH)
    • amino-4-imidazoleproprionate
    • HISTIDINE [WHO-DD]
    • L-HISTIDINE [FHFI]
    • SCHEMBL3259
    • Lopac0_000566
    • US9138393, Histidine
    • US9144538, Histidine
    • (S)1H-Imidazole-4-alanine
    • CHEMBL17962
    • L-HISTIDINE [USP-RS]
    • (S)-1H-Imidazole-4-alanine
    • BDBM7953
    • DTXCID503126
    • GTPL3310
    • GTPL4670
    • L-Histidine, non-animal source
    • Imidazole C-4(5) deriv. 5
    • amino-4-imidazoleproprionic acid
    • amino-1H-imidazole-4-propanoate
    • HY-N0832R
    • Treating Periodontitis Toothpaste
    • L-Histidine, p.a., 98.5%
    • BDBM181118
    • 3-(1H-imidazol-4-yl)-L-Alanine
    • HY-N0832
    • amino-1H-imidazole-4-propanoic acid
    • AKOS015854051
    • AKOS026676613
    • CCG-204656
    • CS-7781
    • DB00117
    • FH15651
    • SDCCGSBI-0050549.P002
    • SERINE IMPURITY C [EP IMPURITY]
    • (S)-a-Amino-1H-imidazole-4-propanoate
    • NCGC00015518-01
    • NCGC00162189-01
    • NCGC00162189-02
    • NCGC00162189-05

  • Applications

    Histidine (CAS 71-00-1) is an essential amino acid with multiple real-world applications across industries. In nutrition and pharmaceuticals, it is used as a dietary supplement ingredient and as a component of parenteral and other medical nutrition solutions. In biotechnology, histidine is used as an ingredient in cell culture media and as the basis for the histidine tag (His-tag) system to purify recombinant proteins by metal-affinity chromatography. In animal nutrition, it is added to feed formulations to supplement essential amino acids for livestock. In cosmetics and personal care, histidine can serve as a pH buffer and a conditioning/humectant ingredient in formulations. In industrial and chemical manufacturing, histidine acts as a precursor or building block for the synthesis of peptides and specialty chemicals.

    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