Thiamine Hydrochloride

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  • Identifiers

    CAS number
    67-03-8

    Molecular formula
    C12H18Cl2N4OS

    SMILES
    CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 58.34%
    Meaty 52.92%
    Nutty 47.24%
    Fatty 32.18%
    Savory 31.92%
    Cooked 31.43%
    Burnt 30.47%
    Odorless 28.41%
    Beefy 28.18%
    Popcorn 25.3%

     

    Flavor
    Bitter 75.83%
    Odorless 31.16%
    Mild 26.36%
    Roasted 24.88%
    Bland 21.72%
    Sweet-like 20.99%
    Cooked beef juice 20.54%
    Bread crust 20.26%
    Scallion 20.06%
    Roasted peanuts 19.83%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.87 (neutral)

    Molecular weight
    337.3 g/mol

    Melting point expt.

    • 164 °C
    • MP: 248 °C, DECOMP /HYDROCHLORIDE/

    Flash point

    • 225.64 ˚C est.

    Solubility expt.

    • SLIGHTLY SOL IN ALC & CHLOROFORM /MONONITRATE/
    • MONONITRATE IS MUCH LESS SOL IN WATER THAN HYDROCHLORIDE
    • In water, approximately 5.0X10+5 mg/L, temp not specified
    • Soluble in water, propylene glycol; Insoluble in ether, benzene, hexane, chloroform
    • Slightly soluble (in ethanol)

  • Synonyms

    • THIAMINE HYDROCHLORIDE
    • 67-03-8
    • Thiamine HCL
    • Aneurine hydrochloride
    • Clotiamina
    • Eskaphen
    • Vitamin B1 hydrochloride
    • Berin
    • Betalin S
    • Thiamine chloride hydrochloride
    • Thiamine dichloride
    • Begiolan
    • Bethiazine
    • Bevitine
    • Bithiamin
    • Thiadoxine
    • Tiamidon
    • Tiaminal
    • Vitaneuron
    • Beatine
    • Bedome
    • Benerva
    • Bequin
    • Beuion
    • Bevitex
    • Bivatin
    • Bivita
    • Eskapen
    • Slowten
    • Thiamol
    • Thiavit
    • Biuno
    • Hybee
    • Apate drops
    • Thiaminum hydrochloricum
    • vitamin B1
    • thiamine(2+) dichloride
    • Thiamin hydrochloride
    • Metabolin
    • Thiaminal
    • Trophite
    • Vinothiam
    • Betabion hydrochloride
    • Bewon
    • Lixa-beta
    • Thiamin chloride
    • Vetalin S
    • FEMA No. 3322
    • Thiamin dichloride
    • Thiaminium chloride
    • Betaxin
    • Usaf cb-20
    • MFCD00012780
    • Vitamin B hydrochloride
    • Thiaminium chloride hydrochloride
    • Thiamine monohydrochloride
    • Thiamine, monohydrochloride
    • NSC-36226
    • Betabion
    • Biamine
    • thymine hydrochloride
    • CCRIS 1906
    • Vitamin b(sub 1) hydrochloride
    • DTXSID0040622
    • UNII-M572600E5P
    • CHEBI:49105
    • Thiamine, hydrochloride
    • Thiamine (hydrochloride)
    • EINECS 200-641-8
    • NSC 36226
    • 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride hydrochloride
    • M572600E5P
    • Thiamine HCl (Vitamin B1)
    • Vitamin B1 (Thiamine HCl)
    • AI3-18993
    • 67-03-8 (HCl salt)
    • DTXCID8020622
    • Thiamine hydrochloride [USP:JAN]
    • Thiamine Hydrochloride (Vitamin B1)
    • CAS-67-03-8
    • NCGC00017013-01
    • NSC36226
    • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride hydrochloride
    • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
    • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride
    • Thiamine hydrochloride 10 microg/mL in Acetonitrile
    • Thiamine chloride hydrochloride;Vitamin B1 hydrochloride
    • Thiamine hydrochloride (USP:JAN)
    • THD
    • THIAMINE HYDROCHLORIDE (MART.)
    • THIAMINE HYDROCHLORIDE [MART.]
    • THIAMINE HYDROCHLORIDE (USP-RS)
    • THIAMINE HYDROCHLORIDE [USP-RS]
    • SMR000875246
    • THIAMINE HYDROCHLORIDE (EP IMPURITY)
    • THIAMINE HYDROCHLORIDE [EP IMPURITY]
    • THIAMINE HYDROCHLORIDE (EP MONOGRAPH)
    • THIAMINE HYDROCHLORIDE [EP MONOGRAPH]
    • THIAMINE HYDROCHLORIDE (USP MONOGRAPH)
    • THIAMINE HYDROCHLORIDE [USP MONOGRAPH]
    • vitamin Bl
    • Vitamin B1 hydrochloride (VAN)
    • Vitamin b(sup1)
    • 3-((4-azaniumyl-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride
    • 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride
    • Prestwick_441
    • Thiamio hydrochloridum
    • Thiamini hydrochloridum
    • Thiamine HCL (TN)
    • Vitamin B1hydrochloride
    • Thiazolium, hydrochloride
    • VITAMIN B1 [FHFI]
    • Thiazolium, monohydrochloride
    • SCHEMBL41101
    • MLS001332447
    • MLS001332448
    • Thiamine hydrochloride (USP)
    • Thiamine for system suitability
    • Thiamine chloride, hydrochloride
    • CHEMBL1200941
    • HY-N0680R
    • Vitamin B1 Hydrochloride Hydrate
    • Thiamine, chloride, hydrochloride
    • HMS1569P04
    • THIAMINE HYDROCHLORIDE [MI]
    • BCP27971
    • HY-N0680
    • Thiamine (hydrochloride) (Standard)

  • Applications

    Thiamine Hydrochloride (CAS 67-03-8) is widely used as a vitamin B1 supplement in pharmaceutical and nutraceutical products, including oral tablets and injections, and as a component in parenteral nutrition. It also serves as a vitamin fortificant in food processing and fortified foods and beverages. In agriculture and animal nutrition, it is added to feed premixes to prevent thiamine deficiency in poultry and other livestock. Additionally, it may be used in cosmetics and personal care formulations as a vitamin ingredient where permitted by regulation, and its use is dependent on the formulation and regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.3
    methanol 25.27
    isopropanol 6.06
    water 10.54
    ethyl acetate 10.98
    n-propanol 7.46
    acetone 14.68
    n-butanol 6.86
    acetonitrile 9.02
    DMF 147.53
    toluene 2.68
    isobutanol 6.62
    1,4-dioxane 14.26
    methyl acetate 12.33
    THF 55.3
    2-butanone 15.36
    n-pentanol 5.62
    sec-butanol 5.96
    n-hexane 0.06
    ethylene glycol 21.05
    NMP 112.09
    cyclohexane 0.24
    DMSO 207.39
    n-butyl acetate 7.42
    n-octanol 1.2
    chloroform 24.34
    n-propyl acetate 5.94
    acetic acid 65.87
    dichloromethane 29.31
    cyclohexanone 35.52
    propylene glycol 26.57
    isopropyl acetate 6.05
    DMAc 193.78
    2-ethoxyethanol 47.36
    isopentanol 7.72
    n-heptane 0.15
    ethyl formate 22.59
    1,2-dichloroethane 15.46
    n-hexanol 4.64
    2-methoxyethanol 123.88
    isobutyl acetate 4.51
    tetrachloromethane 4.35
    n-pentyl acetate 4.88
    transcutol 48.84
    n-heptanol 3.25
    ethylbenzene 0.95
    MIBK 6.89
    2-propoxyethanol 38.05
    tert-butanol 8.41
    MTBE 2.27
    2-butoxyethanol 19.41
    propionic acid 23.46
    o-xylene 2.58
    formic acid 127.7
    diethyl ether 1.45
    m-xylene 2.59
    p-xylene 2.05
    chlorobenzene 7.15
    dimethyl carbonate 15.13
    n-octane 0.07
    formamide 158.72
    cyclopentanone 61.14
    2-pentanone 9.65
    anisole 4.19
    cyclopentyl methyl ether 9.91
    gamma-butyrolactone 77.23
    1-methoxy-2-propanol 60.63
    pyridine 21.74
    3-pentanone 8.11
    furfural 109.51
    n-dodecane 0.06
    diethylene glycol 65.33
    diisopropyl ether 0.7
    tert-amyl alcohol 7.63
    acetylacetone 21.74
    n-hexadecane 0.08
    acetophenone 10.84
    methyl propionate 14.15
    isopentyl acetate 8.18
    trichloroethylene 43.43
    n-nonanol 1.52
    cyclohexanol 7.83
    benzyl alcohol 13.46
    2-ethylhexanol 3.02
    isooctanol 3.05
    dipropyl ether 1.96
    1,2-dichlorobenzene 8.46
    ethyl lactate 11.02
    propylene carbonate 40.76
    n-methylformamide 74.5
    2-pentanol 3.06
    n-pentane 0.09
    1-propoxy-2-propanol 19.25
    1-methoxy-2-propyl acetate 18.26
    2-(2-methoxypropoxy) propanol 16.63
    mesitylene 1.64
    ε-caprolactone 32.74
    p-cymene 1.83
    epichlorohydrin 78.22
    1,1,1-trichloroethane 12.59
    2-aminoethanol 32.33
    morpholine-4-carbaldehyde 96.95
    sulfolane 129.41
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 16.87
    n-hexyl acetate 3.87
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 20.8
    sec-butyl acetate 3.88
    tert-butyl acetate 6.73
    decalin 0.17
    glycerin 83.41
    diglyme 40.39
    acrylic acid 32.61
    isopropyl myristate 1.63
    n-butyric acid 33.8
    acetyl acetate 10.97
    di(2-ethylhexyl) phthalate 5.65
    ethyl propionate 5.08
    nitromethane 111.19
    1,2-diethoxyethane 6.39
    benzonitrile 13.41
    trioctyl phosphate 3.41
    1-bromopropane 3.02
    gamma-valerolactone 119.12
    n-decanol 1.2
    triethyl phosphate 7.21
    4-methyl-2-pentanol 2.86
    propionitrile 7.14
    vinylene carbonate 39.37
    1,1,2-trichlorotrifluoroethane 126.47
    DMS 8.15
    cumene 1.02
    2-octanol 1.51
    2-hexanone 5.81
    octyl acetate 2.49
    limonene 2.18
    1,2-dimethoxyethane 34.68
    ethyl orthosilicate 6.34
    tributyl phosphate 4.02
    diacetone alcohol 21.42
    N,N-dimethylaniline 4.31
    acrylonitrile 15.3
    aniline 11.84
    1,3-propanediol 46.28
    bromobenzene 5.61
    dibromomethane 11.78
    1,1,2,2-tetrachloroethane 33.72
    2-methyl-cyclohexyl acetate 7.76
    tetrabutyl urea 6.07
    diisobutyl methanol 2.01
    2-phenylethanol 11.96
    styrene 1.14
    dioctyl adipate 4.04
    dimethyl sulfate 46.56
    ethyl butyrate 6.34
    methyl lactate 30.01
    butyl lactate 9.93
    diethyl carbonate 6.15
    propanediol butyl ether 13.89
    triethyl orthoformate 6.69
    p-tert-butyltoluene 1.66
    methyl 4-tert-butylbenzoate 12.8
    morpholine 25.8
    tert-butylamine 2.1
    n-dodecanol 0.92
    dimethoxymethane 37.25
    ethylene carbonate 30.19
    cyrene 34.01
    2-ethoxyethyl acetate 11.84
    2-ethylhexyl acetate 5.98
    1,2,4-trichlorobenzene 14.0
    4-methylpyridine 19.86
    dibutyl ether 1.01
    2,6-dimethyl-4-heptanol 2.01
    DEF 21.55
    dimethyl isosorbide 33.73
    tetrachloroethylene 22.61
    eugenol 16.98
    triacetin 8.96
    span 80 11.95
    1,4-butanediol 19.34
    1,1-dichloroethane 8.95
    2-methyl-1-pentanol 6.38
    methyl formate 54.53
    2-methyl-1-butanol 7.28
    n-decane 0.08
    butyronitrile 7.6
    3,7-dimethyl-1-octanol 1.88
    1-chlorooctane 0.46
    1-chlorotetradecane 0.28
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.14
    cyclooctane 0.11
    cyclopentanol 14.85
    tetrahydropyran 7.08
    tert-amyl methyl ether 2.86
    2,5,8-trioxanonane 29.51
    1-hexene 0.3
    2-isopropoxyethanol 20.03
    2,2,2-trifluoroethanol 59.02
    methyl butyrate 8.95

    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