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107-35-7

Basic Information
CAS No.: 107-35-7
Name: Taurine
Article Data: 133
Cas Database
Molecular Structure:
Molecular Structure of 107-35-7 (Taurine)
Formula: C2H7NO3S
Molecular Weight: 125.148
Synonyms: 2-aminoethanesulfonic acid;aminoetylsulphonic acid;Aminoethylsulfonic acid (JAN);2-aminoethyl sulfonate;beta-aminoethylsulfonic acid;Taufon;Aminoethylsulfonic acid;O-Due;2-Sulfoethylamine;Ethanesulfonic acid, 2-amino- (9CI);Aminoethanesulfonic acid;Taurine (8CI);Taukard;L-Taurine;2-Aminoethylsulfonic acid;2-azaniumylethanesulfonate;ethanesulfonic acid, 2-amino-;ethylaminesulphonic acid;2-aminoethylsulfonic acid, ethlaminosulfonic acid;2-Aminoethanesulphonic acid >99%;2-amino ethanesulfonic acid;Taurine JP8 (food, feed & pharmaceutical grade);Taurine (P015);2-Aminoethansulfonic;;2-Amino ethyl sulfonic acid;
EINECS: 203-483-8
Density: 1.494 g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: N/A
Flash Point: N/A
Solubility: water: 0.5 M at 20 °C, clear, colorless
Appearance: White crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25
Transport Information: N/A
PSA: 88.77000
LogP: 0.61400
Synthetic route
753386-85-5

cyanomethane-sulfonic acid

Conditions
ConditionsYield
With hydrogen at 55℃; under 22502.3 Torr; Temperature; Pressure; Reagent/catalyst; Inert atmosphere;99.98%
60-23-1

Cysteamine

Conditions
ConditionsYield
With 2,2,6,6-tetramethyl-piperidine In water at 140℃; under 3000.3 Torr; for 0.166667h; Reagent/catalyst; Temperature; Pressure;98.4%
With dihydrogen peroxide; acetic acid
7347-25-3

sodium taurinate

Conditions
ConditionsYield
With ethanolamine pH=12.5;95.7%
With sulfuric acid at 80 - 100℃; pH=7.9; Temperature; pH-value;75%
With sulfur dioxide In water pH=5 - 6; Reagent/catalyst;110 g
856367-27-6

ammonium 2-nitroethane-1-sulfonate

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen at 20℃; pH=4.2; Concentration; pH-value; Temperature; Reagent/catalyst; Large scale;95.1%
1562-00-1

sodium 2-hydroxyethanesulfonate

Conditions
ConditionsYield
With C22H24OP(1+)*CH3O3S(1-); ammonia; copper(l) chloride at 160℃; under 73507.4 Torr; for 0.5h; Reagent/catalyst; Temperature; Pressure;95%
Stage #1: sodium 2-hydroxyethanesulfonate pH=12.5;
Stage #2: With ammonia In water at 250℃; under 135014 Torr; for 2h; Autoclave;
91%
With ammonium hydroxide; sodium hydroxide at 250℃; for 2h; Reagent/catalyst; Temperature; Autoclave;78.4%

ammonium taurate

Conditions
ConditionsYield
With sulfur dioxide at 20℃; pH=4.2; Concentration; Temperature; pH-value; Large scale;95%
134469-06-0

thiazolidine-2-thione

Conditions
ConditionsYield
With formic acid; dihydrogen peroxide In water at 0 - 5℃;93%
926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

Conditions
ConditionsYield
Stage #1: sulfuric acid mono-(2-amino-ethyl ester) With ammonium sulfite monohydrate at 120℃; for 18h; Autoclave;
Stage #2: With ammonium sulfite monohydrate; sodium hydroxide In water pH=7.2; Temperature;
88.1%
With water; sodium sulfite
926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

141-43-5

ethanolamine

Conditions
ConditionsYield
With ammonium sulfate; sulfuric acid; ammonium sulfite monohydrate In water at 110℃; for 24h; pH=6.2 - 7.2; Autoclave;85%
625-48-9

2-nitro-1-ethanol

859312-16-6

sodium 2-nitroethanesulfonate

Conditions
ConditionsYield
Stage #1: 2-nitro-1-ethanol With sulfur dioxide; sodium hydroxide for 15h; pH=5.9; Autoclave;
Stage #2: sodium 2-nitroethanesulfonate With hydrogen Autoclave;
81%
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Chemistry

Structure Descriptors of Taurine (CAS NO.107-35-7):

IUPAC Name: 2-aminoethanesulfonic acid 
Molecular Formula: C2H7NO3S
Molecular Weight: 125.14g/mol
Mol File: 107-35-7.mol
EINECS: 203-483-8
Appearance: Large white crystals or white powder
Melting Point: >300 °C(lit.)
Storage Temperature: 2-8°C
Density: 1.494 g/cm3
Water Solubility: 5-10 g/100 mL at 23.5 ºC
Stability: Stable. Incompatible with strong oxidizing agents.
Surface Tension: 68.1 dyne/cm 
Index of Refraction: 1.515
Molar Refractivity: 25.27 cm3
Molar Volume: 83.7 cm3
XLogP3-AA: -4.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Canonical SMILES: C(CS(=O)(=O)O)N
InChI: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)  
InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N
Product Categories: Food and Feed Additive; Food & Feed ADDITIVES; Sulphur Derivatives; pharmacetical; Natural Plant Extract; Nutritional fortification substances; Amino Acids; GABA/Glycine receptor

Uses

The uses of Taurine are as follows:
1. Taurine is an essential dietary requirement for feline health, since cats cannot synthesize the compound. The absence of taurine causes a cat's retina to slowly degenerate, causing eye problems and (eventually) irreversible blindness — a condition known as central retinal degeneration (CRD),as well as hair loss and tooth decay. It was discovered in 1987 that taurine deficiency can also cause feline dilated cardiomyopathy. Unlike CRD, the condition is reversible with supplementation. Taurine is now a requirement of the Association of American Feed Control Officials (AAFCO) and any dry or wet food product labeled approved by the AAFCO should have a minimum of 0.1% taurine in dry food and 0.2% in wet food.
2.Recent research has provided evidence that Taurine is essential in early bird development of passerines. Many passerines, regardless of spider availability, seek out many Taurine-rich spiders to feed their young particularly in their youngest stages of life. Researchers later compared the behaviors and development of birds fed a Taurine-supplemented diet to a control diet and found that juveniles that were fed Taurine-rich diets as neonates were much larger risk takers and more adept at spatial learning tasks.
3. Taurine is used as a functional food in many energy drinks and energy products. Despite being present in many energy foods, it has not been proven to be energy-giving. A study of mice hereditarily unable to transport Taurine suggests that it is needed for proper maintenance and functioning of skeletal muscles. Additionally, it has been shown to be effective in removing fatty liver deposits in humans, preventing liver disease, and reducing cirrhosis in rats.
4. Taurine is necessary for normal skeletal muscle functioning.
5.It is believed that prematurely born infants lack the enzymes needed to convert cystathionine to cysteine and may therefore become deficient in taurine. Thus, Taurine is thought to be a dietary essential nutrient in these individuals and has been added to many infant formulas as a measure of prudence, since the early 1980s.

Production

For mammalian taurine synthesis occurs in the pancreas via the cysteine sulfinic acid pathway. In this pathway, the sulfhydryl group of cysteine is first oxidized to cysteine sulfinic acid by the enzyme cysteine dioxygenase. Cysteine sulfinic acid, in turn, is decarboxylated by sulfinoalanine decarboxylase to form hypotaurine. It is unclear whether hypotaurine is then spontaneously or enzymatically oxidized to yield taurine.
Taurine in the pharmaceutical and lab setting is synthesized through a combination of cysteine, methionine, and vitamin E.
In 1993, approximately 5,000–6,000 t. of taurine were produced; 50% for pet food manufacture, 50% in pharmaceutical applications.Synthetic taurine is obtained from isethionic acid (2-hydroxyethanesulfonic acid), which in turn is obtained from the reaction of ethylene oxide with aqueous sodium bisulfite.Another approach is the reaction of aziridine with sulfurous acid. This leads directly to taurine.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 2gm/kg (2000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 2677, 1991.
mammal (species unspecified) LD oral > 10gm/kg (10000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 33(10), Pg. 57, 1989.
mouse LD50 intramuscular > 7gm/kg (7000mg/kg)   Drugs in Japan Vol. -, Pg. 51, 1990.
mouse LD50 intraperitoneal 6630mg/kg (6630mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 18, Pg. 658, 1983.
mouse LD50 intravenous > 7gm/kg (7000mg/kg)   Drugs in Japan Vol. -, Pg. 51, 1990.
mouse LD50 oral > 7gm/kg (7000mg/kg)   Drugs in Japan Vol. -, Pg. 51, 1990.
mouse LD50 subcutaneous 6gm/kg (6000mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 48, 1946.
rabbit LD50 intravenous > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. -, Pg. 51, 1990.
rat LD50 intravenous > 7gm/kg (7000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 2671, 1991.
rat LD50 oral > 5gm/kg (5000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 2671, 1991.

Safety Profile

Safety Information of Taurine (CAS NO.107-35-7):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38   
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: WX0175000
HS Code: 29211980

Specification

 Taurine , its CAS NO. is 107-35-7, the synonyms are 2-Aminoethanesulfonic acid ; 2-Aminoethylsulfonic acid ; 2-Sulfoethylamine ; Tauphon ; Taurinum ;  beta-Aminoethylsulfonic acid ; Ethanesulfonic acid, 2-amino- ; L-Taurine .

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