Histamine

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  • Identifiers

    CAS number
    51-45-6

    Molecular formula
    C5H9N3

    SMILES
    C1=C(NC=N1)CCN

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fishy 65.57%
    Meaty 45.32%
    Cheesy 44.76%
    Odorless 44.43%
    Roasted 36.31%
    Ripe 33.61%
    Nutty 31.77%
    Animal 28.25%
    Popcorn 28.16%
    Savory 28.03%

     

    Flavor
    Roasted 39.56%
    Bitter 35.54%
    Meaty 32.91%
    Odorless 28.25%
    Mild 27.53%
    Sulfury 24.82%
    Coffee 23.13%
    Fishy 22.63%
    Cooked 21.8%
    Scallion 21.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.08 (neutral)

    Molecular weight
    111.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 139 °C (phosphate salt)
    • 83-84 °C
    • 86 °C

    Boiling point

    • 209-210 °C @ 18 MM HG

    Flash point

    • 152.86 ˚C est.

    Solubility expt.

    • COLORLESS LONG PRISMATIC CRYSTALS; ODORLESS; 1 G SOL IN ABOUT 4 ML WATER; AQ SOLN IS ACID TO LITMUS; WHEN DRIED AT 105 °C FOR 2 HR, IT MELTS AT ABOUT 140 °C /PHOSPHATE/
    • FREELY SOL IN WATER, ALCOHOL, HOT CHLOROFORM; SPARINGLY SOL IN ETHER
    • 14.1 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • histamine
    • 51-45-6
    • 2-(1H-imidazol-5-yl)ethanamine
    • Ergamine
    • Ergotidine
    • 1H-Imidazole-4-ethanamine
    • 2-(4-Imidazolyl)ethylamine
    • Eramin
    • 5-Imidazoleethylamine
    • Theramine
    • Free histamine
    • beta-Aminoethylimidazole
    • 4-(2-Aminoethyl)-1H-imidazole
    • beta-Aminoethylglyoxaline
    • Imidazole-4-ethylamine
    • 4-Imidazoleethylamine
    • beta-Imidazolyl-4-ethylamine
    • Imidazole, 4-(2-aminoethyl)-
    • NSC-33792
    • DTXSID4023125
    • CHEBI:18295
    • DTXCID103125
    • 820484N8I3
    • 2-(3H-imidazol-4-yl)ethanamine
    • NSC33792
    • ALEROFF
    • RefChem:5888
    • 200-100-6
    • 2-(1H-Imidazol-4-yl)ethanamine
    • 2-(1H-imidazol-4-yl)ethan-1-amine
    • 2-Imidazol-4-ylethylamine
    • Histamine Base
    • Histamine, Free Base
    • Istamina
    • 1H-Imidazole-5-ethanamine
    • 2-(3H-Imidazol-4-yl)-ethylamine
    • Ethylamine, 2-imidazol-4-yl-
    • L-histamine
    • MFCD00005210
    • [3H]histamine
    • beta-aminothethylglyoxaline
    • L-Histamin base
    • .beta.-Aminoethylglyoxaline
    • NSC 33792
    • 2-(1H-imidazol-5-yl)ethan-1-amine
    • CHEMBL90
    • .beta.-Aminoethylimidazole
    • 2-imidazol-5-ylethylamine
    • 4-(2-Aminoethyl)imidazole
    • MLS000069447
    • .beta.-Imidazolyl-4-ethylamine
    • 2-(1H-Imidazol-4-yl)ethylamine
    • Histamine [USAN]
    • Istamina [Italian]
    • NCGC00015513-04
    • SMR000059091
    • imidazole, 4(5)-(2-aminoethyl)-
    • [2-(1H-imidazol-5-yl)ethyl]amine dihydrochloride
    • CAS-51-45-6
    • Histaminum (TN)
    • Histamine (DCF)
    • CCRIS 6535
    • HSDB 3338
    • EINECS 200-100-6
    • 3h-histamine
    • imido-
    • Racemic histamine
    • Histamine CRS
    • 1avn
    • 1qft
    • UNII-820484N8I3
    • ALBB-005968
    • Histamine (Standard)
    • Spectrum_000845
    • HISTAMINE [MI]
    • HISTAMINE [HSDB]
    • Opera_ID_1772
    • Spectrum2_000665
    • Spectrum3_000452
    • Spectrum4_000960
    • Spectrum5_000796
    • HISTAMINE [VANDF]
    • Lopac-H-7250
    • b-Imidazolyl-4-ethylamine
    • bmse000744
    • HISTAMINE [MART.]
    • Histamine, >=97.0%
    • HISTAMINE [WHO-DD]
    • SCHEMBL2279
    • 748 - Fish based sample
    • 2-(4-Imidazolyl)ethanamine
    • 2-imidazol-4-yl-Ethylamine
    • Lopac0_000595
    • WLN: T5M CNJ D2Z
    • BSPBio_001117
    • BSPBio_002124
    • KBioGR_000457
    • KBioGR_001580
    • KBioSS_000457
    • KBioSS_001325
    • DivK1c_000308
    • Histamine, analytical standard
    • SCHEMBL288432
    • SPBio_000729
    • (1H-imidazol-4-yl)ethylamine
    • BDBM7966
    • GTPL1204
    • GTPL1247
    • orb1310123
    • SCHEMBL4763745
    • SCHEMBL5107846
    • SCHEMBL8772952
    • SCHEMBL9436072
    • SCHEMBL9739518
    • BCBcMAP01_000250
    • HY-B1204R
    • KBio1_000308
    • KBio2_000457
    • KBio2_001325
    • KBio2_003025
    • KBio2_003893
    • KBio2_005593
    • KBio2_006461
    • KBio3_000853
    • KBio3_000854
    • KBio3_001344
    • F411C768-A159-4FC0-A195-291A08BB03AA
    • 51-45-6

  • Applications

    Histamine (CAS 51-45-6) is used as a chemical reagent and building block in pharmaceutical research and synthesis, providing an organic amine framework for histaminergic compounds. It also serves as a substrate and tool in biochemical/pharmacological research on histamine receptors and signaling. In analytical chemistry, histamine is a reference standard and calibrant for quantitative methods (LC-MS/GC-MS) to detect and quantify histamine in biological samples and foods. As a model amine, it supports method development and process optimization in laboratory studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 214.45
    methanol 552.89
    isopropanol 79.47
    water 379.89
    ethyl acetate 38.74
    n-propanol 124.8
    acetone 108.02
    n-butanol 74.03
    acetonitrile 53.19
    DMF 783.82
    toluene 6.69
    isobutanol 70.6
    1,4-dioxane 58.05
    methyl acetate 56.21
    THF 170.98
    2-butanone 58.65
    n-pentanol 49.9
    sec-butanol 52.81
    n-hexane 0.72
    ethylene glycol 323.74
    NMP 450.45
    cyclohexane 0.73
    DMSO 668.65
    n-butyl acetate 24.17
    n-octanol 11.95
    chloroform 55.58
    n-propyl acetate 19.55
    acetic acid 605.74
    dichloromethane 40.26
    cyclohexanone 77.77
    propylene glycol 263.85
    isopropyl acetate 16.01
    DMAc 420.43
    2-ethoxyethanol 142.86
    isopentanol 41.6
    n-heptane 1.26
    ethyl formate 69.74
    1,2-dichloroethane 20.62
    n-hexanol 41.19
    2-methoxyethanol 379.88
    isobutyl acetate 12.6
    tetrachloromethane 13.81
    n-pentyl acetate 15.62
    transcutol 83.79
    n-heptanol 21.29
    ethylbenzene 2.09
    MIBK 17.83
    2-propoxyethanol 126.78
    tert-butanol 55.26
    MTBE 13.68
    2-butoxyethanol 61.54
    propionic acid 218.05
    o-xylene 6.04
    formic acid 904.98
    diethyl ether 10.89
    m-xylene 7.18
    p-xylene 4.01
    chlorobenzene 17.64
    dimethyl carbonate 40.42
    n-octane 0.51
    formamide 523.36
    cyclopentanone 180.5
    2-pentanone 37.53
    anisole 10.77
    cyclopentyl methyl ether 40.03
    gamma-butyrolactone 251.93
    1-methoxy-2-propanol 168.0
    pyridine 63.66
    3-pentanone 24.42
    furfural 225.55
    n-dodecane 0.48
    diethylene glycol 181.65
    diisopropyl ether 2.76
    tert-amyl alcohol 42.03
    acetylacetone 45.46
    n-hexadecane 0.51
    acetophenone 19.97
    methyl propionate 62.48
    isopentyl acetate 16.82
    trichloroethylene 67.26
    n-nonanol 10.12
    cyclohexanol 34.11
    benzyl alcohol 34.03
    2-ethylhexanol 13.65
    isooctanol 14.2
    dipropyl ether 9.28
    1,2-dichlorobenzene 15.47
    ethyl lactate 32.68
    propylene carbonate 94.15
    n-methylformamide 497.36
    2-pentanol 25.73
    n-pentane 0.89
    1-propoxy-2-propanol 61.78
    1-methoxy-2-propyl acetate 34.48
    2-(2-methoxypropoxy) propanol 33.4
    mesitylene 3.98
    ε-caprolactone 69.8
    p-cymene 4.12
    epichlorohydrin 132.76
    1,1,1-trichloroethane 22.87
    2-aminoethanol 350.44
    morpholine-4-carbaldehyde 253.44
    sulfolane 290.66
    2,2,4-trimethylpentane 0.91
    2-methyltetrahydrofuran 65.83
    n-hexyl acetate 16.7
    isooctane 0.63
    2-(2-butoxyethoxy)ethanol 44.84
    sec-butyl acetate 9.08
    tert-butyl acetate 13.13
    decalin 0.62
    glycerin 432.21
    diglyme 81.14
    acrylic acid 290.11
    isopropyl myristate 5.04
    n-butyric acid 176.43
    acetyl acetate 25.38
    di(2-ethylhexyl) phthalate 14.64
    ethyl propionate 15.9
    nitromethane 468.98
    1,2-diethoxyethane 12.09
    benzonitrile 32.37
    trioctyl phosphate 10.44
    1-bromopropane 8.58
    gamma-valerolactone 225.03
    n-decanol 7.15
    triethyl phosphate 10.45
    4-methyl-2-pentanol 12.57
    propionitrile 40.45
    vinylene carbonate 91.82
    1,1,2-trichlorotrifluoroethane 232.9
    DMS 20.12
    cumene 2.34
    2-octanol 9.37
    2-hexanone 18.12
    octyl acetate 9.42
    limonene 5.97
    1,2-dimethoxyethane 81.11
    ethyl orthosilicate 9.22
    tributyl phosphate 10.65
    diacetone alcohol 40.74
    N,N-dimethylaniline 10.57
    acrylonitrile 86.7
    aniline 38.76
    1,3-propanediol 233.68
    bromobenzene 11.91
    dibromomethane 19.07
    1,1,2,2-tetrachloroethane 51.38
    2-methyl-cyclohexyl acetate 12.88
    tetrabutyl urea 16.36
    diisobutyl methanol 6.5
    2-phenylethanol 29.35
    styrene 3.07
    dioctyl adipate 10.49
    dimethyl sulfate 101.18
    ethyl butyrate 14.28
    methyl lactate 99.33
    butyl lactate 26.02
    diethyl carbonate 10.6
    propanediol butyl ether 54.24
    triethyl orthoformate 11.54
    p-tert-butyltoluene 4.06
    methyl 4-tert-butylbenzoate 25.44
    morpholine 112.36
    tert-butylamine 17.92
    n-dodecanol 5.15
    dimethoxymethane 111.55
    ethylene carbonate 63.86
    cyrene 57.53
    2-ethoxyethyl acetate 23.53
    2-ethylhexyl acetate 12.81
    1,2,4-trichlorobenzene 24.08
    4-methylpyridine 53.05
    dibutyl ether 4.36
    2,6-dimethyl-4-heptanol 6.5
    DEF 83.88
    dimethyl isosorbide 45.83
    tetrachloroethylene 42.93
    eugenol 33.75
    triacetin 22.86
    span 80 35.96
    1,4-butanediol 117.91
    1,1-dichloroethane 22.67
    2-methyl-1-pentanol 26.65
    methyl formate 271.46
    2-methyl-1-butanol 48.47
    n-decane 0.69
    butyronitrile 35.4
    3,7-dimethyl-1-octanol 9.53
    1-chlorooctane 3.27
    1-chlorotetradecane 1.38
    n-nonane 0.63
    undecane 0.55
    tert-butylcyclohexane 0.71
    cyclooctane 0.41
    cyclopentanol 90.79
    tetrahydropyran 29.03
    tert-amyl methyl ether 11.71
    2,5,8-trioxanonane 53.52
    1-hexene 2.82
    2-isopropoxyethanol 58.76
    2,2,2-trifluoroethanol 266.59
    methyl butyrate 27.03

    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