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67-03-8

67-03-8 structure
67-03-8 structure
  • Name: Thiamine hydrochloride
  • Chemical Name: thiamine(2+) dichloride
  • CAS Number: 67-03-8
  • Molecular Formula: C12H18Cl2N4OS
  • Molecular Weight: 337.268
  • Catalog: Food additive Nutrition supplements Vitamins
  • Create Date: 2018-02-05 08:00:00
  • Modify Date: 2024-01-02 18:13:22
  • Thiamine hydrochloride is an essential micronutrient needed as a cofactor for many central metabolic enzymes.
Name thiamine(2+) dichloride
Synonyms Thiamine Hydrochloride
Aneurine hydrochloride
Vitamin B1 hydrochloride
EINECS 200-641-8
MFCD00012780
Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride (1:1), hydrochloride (1:1)
Description Thiamine hydrochloride is an essential micronutrient needed as a cofactor for many central metabolic enzymes.
Related Catalog
References

[1]. Moulin M, et al. Analysis of Chlamydomonas thiamin metabolism in vivo reveals riboswitch plasticity. Proc Natl Acad Sci U S A. 2013 Sep 3;110(36):14622-7.
Density 1.401 g/cm3
Melting Point 246-254ºC
Molecular Formula C12H18Cl2N4OS
Molecular Weight 337.268
Flash Point 100ºC
Exact Mass 336.057831
PSA 104.15000
Storage condition 2-8°C
Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
Water Solubility H2O: 0.1 g/mL at 20 °C, clear, colorless | 1 g/mL

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI7350000
CHEMICAL NAME :
Thiamine, chloride, hydrochloride
CAS REGISTRY NUMBER :
67-03-8
LAST UPDATED :
199701
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C12-H17-N4-O-S.Cl-H.Cl
MOLECULAR WEIGHT :
337.30
WISWESSER LINE NOTATION :
T6N CNJ B1 DZ E1- AT5K CSJ D2Q E1 &Q &G &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Behavioral - coma Vascular - BP lowering not characterized in autonomic section Immunological Including Allergic - anaphylaxis
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 13,371,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3710 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - tremor Lungs, Thorax, or Respiration - other changes
REFERENCE :
AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 4,125,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
481 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,712,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
118 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 236,149,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8224 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IZVIAK Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. (Bern, Switzerland) V.19-40, 1947-70. For publisher information, see IJVNAP. Volume(issue)/page/year: 37,82,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
74 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,712,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
117 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 68,153,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
872 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
2600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 9,1,1959 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8540 mg/kg/28D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,712,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11200 mg/kg/28D-I
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 72200 No. of Facilities: 1288 (estimated) No. of Industries: 6 No. of Occupations: 14 No. of Employees: 18364 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 72200 No. of Facilities: 1872 (estimated) No. of Industries: 10 No. of Occupations: 28 No. of Employees: 48078 (estimated) No. of Female Employees: 31774 (estimated)
Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger
Hazard Statements H225-H301 + H311 + H331-H370
Precautionary Statements P210-P260-P280-P301 + P310-P311
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
RIDADR UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany 1
RTECS XI7350000
HS Code 2934100090
137-00-8 structure

137-00-8
73-66-5 structure

73-66-5

~%

67-03-8 structure

67-03-8
Literature: Litvak Pharmaceutical Chemistry Journal, 1999 , vol. 33, # 2 p. 101 - 103
13051-49-5 structure

13051-49-5

~%

67-03-8 structure

67-03-8
Literature: Contant; Forzy; Hengartner; Moine Helvetica Chimica Acta, 1990 , vol. 73, # 5 p. 1300 - 1305
31375-19-6 structure

31375-19-6
55289-66-2 structure

55289-66-2

~%

67-03-8 structure

67-03-8
Literature: Contant; Forzy; Hengartner; Moine Helvetica Chimica Acta, 1990 , vol. 73, # 5 p. 1300 - 1305
31375-20-9 structure

31375-20-9
13051-49-5 structure

13051-49-5

~%

67-03-8 structure

67-03-8
Literature: Bergel; Todd Journal of the Chemical Society, 1938 , p. 26 Full Text Show Details Andersag; Westphal Chemische Berichte, 1937 , vol. 70, p. 2035,2044 Full Text Show Details Todd; Bergel Journal of the Chemical Society, 1937 , p. 367 Journal of the Chemical Society, 1938 , p. 28
663179-26-8 structure

663179-26-8
64-18-6 structure

64-18-6
31375-20-9 structure

31375-20-9
7732-18-5 structure

7732-18-5

~%

Detail
Literature: Hoffmann-La Roche Patent: US2127446 , 1938 ; Full Text Show Details Hoffmann-La Roche Patent: DE676980 , 1937 ; DRP/DRBP Org.Chem.
137-00-8 structure

137-00-8
7732-18-5 structure

7732-18-5
24361-62-4 structure

24361-62-4

~%

67-03-8 structure

67-03-8
Literature: Matsukawa; Yurugi Yakugaku Zasshi, 1951 , vol. 71, p. 1423,1427 Chem.Abstr., 1952 , p. 8127
50596-94-6 structure

50596-94-6
64-18-6 structure

64-18-6
31375-20-9 structure

31375-20-9
7732-18-5 structure

7732-18-5

~%

Detail
Literature: Koenig et al. Patent: US2393109 , 1941 ;
HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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