CAS 107-35-7 MFCD00008197-2-Aminoethanesulfonic Acid 牛磺酸 TAO{mole}

2-Aminoethanesulfonic Acid 牛磺酸

CAS 107-35-7 MFCD00008197

化学结构图

SMILES: NCCS(=O)(=O)O

化学属性

Mol. Formula	C2H7NO3S
Mol. Weight	125.15
Melting Point	>300 °C
TSCA	Yes
Density	1.0
Solubility	易溶于水，溶于乙醇，不溶于苯、乙醚，可混溶于甲醇、丙酮等。
Stability	对湿度敏感
Refractive index	1.505
Boiling Point	340°C
Appearance	白色结晶或结晶性粉末，无臭，味微酸。熔点大于300℃(分解)。易溶于水，水溶液pH值4.1～5.6，不溶于乙醇、乙醚和丙酮。对热稳定。小白鼠经口LD 大于10g/kg。 50
Flash Point	>300°C

别名和识别编码

Chemical Name	2-Aminoethanesulfonic Acid
CAS Number	107-35-7
Synonym	Taurine {LY} Taurine {} {LY} Taurine {} {} {LY} Taurine {} {} {} {LY} Taurine {} {} {} {} {LY} Taurine {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Taurine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	1123
EC Number	203-483-8
Beilstein Registry Number	1751215
MDL Number	MFCD00008197
Reaxys-RN	1751215
Merck Number	9074
Chemical Name Translation	牛磺酸
Wiswesser Line Notation	Z2SWQ
LabNetwork Molecule ID	LN00194341
InChI	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
Canonical SMILES	NCCS(=O)(O)=O

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

非选择内源性甘氨酸受体激动剂。属必需磺化氨基酸，调节一些细胞的凋亡，参与许多体内代谢活动;蛋氨酸和半胱氨酸的代谢产物。

安全信息

GHS Symbol

WGK Germany2

Hazard Codes Xi

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

RTECSWX0175000

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P302+P352+P332+P313+P362+P364
P305+P351+P338
P305+P351+P338+P337+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用

Signal word Warning

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S37 Wear suitable gloves 戴适当手套；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {}

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,51,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YACHDS Yakuri to Chiryo.  Pharmacology and Therapeutics.  (Raifu Saiensu
   Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan)  V.1-    1972-
   Volume(issue)/page/year: 19,2677,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   QJPPAL Quarterly Journal of Pharmacy & Pharmacology.  (London, UK)  V.2-21,
   1929-48.  For publisher information, see JPPMAB.  Volume(issue)/page/year:
   19,48,1946

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6630 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book
   Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23,    1978-88. For
   publisher information, see ZYZAEU.  Volume(issue)/page/year: 18,658,1983

{haz

TYPE OF TEST            : Morphological transformation
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 7560 mg/kg/6W
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 9,387,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 878 gm/kg
SEX/DURATION            : multigenerations
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 6,535,1972

其他信息

FEMA:3813
无臭、味微酸。水中溶解度:65 g/l (12°C)，不溶于无水乙醇、乙醚和丙酮；微溶于95%乙醇；溶于DMSO。无任何毒副作用。约300℃时分解。有刺激性。
使用限量:GB 14880-94规定用于乳制品、婴幼儿食品及谷类制品、强化饮料，0.3～0.5g/kg；乳饮料、饮液，0.1～0.5g/kg。 GB 2760--2002(g/kg)：配制酒0.1～0.5；果冻0.3～0.5；豆奶粉、豆粉，0.3～0.5；豆浆、豆乳，0.06～0.1；儿童口服液4.0～8.0；果汁(果味)型饮料，0.4～0.6；可可粉及其他口味营养型固体饮料110～140mg/100g(相应营养型乳饮料按稀释倍数降低使用量)；果冻0.3～0.5mg/kg；果汁(果味)型饮料0.4～0.6。 FEMA(mg/kg)：焙烤制品250；肉制品585；汤类500；小吃食品2100；无醇饮料30；早餐谷物1000；油脂565；干酪630；禽类550；蛋类190；鱼类190；加工蔬菜2
方法二:盐酸酯化法 2-氯乙胺盐
Sigma Aldrich:107-35-7(sigmaaldrich)
方法一:1盐酸酯化法 (1)2-氯乙胺盐酸盐的制备。在250mL烧瓶中加入100g浓盐酸，搅拌下缓缓加入乙醇胺61g，升温至145-150℃,通过氯化氢气体至有少量HCL逸出为止；然后蒸馏，在150℃下边减压蒸馏边反应15h，至无水馏出为止；最后将反应液冷却至70℃，加入无水乙醇50g，冷却结晶，经分离、洗涤（用无水乙醇）、真空干燥得成品106g，收率91.3%. （2）牛黄酸的制备。将66.2gNa2SO3加入500mL烧瓶中，加250mL水溶解，在50℃下开始滴加上述产品58g溶于15mL水的溶液，6h滴完；然后升温至65℃反映3h，升温至90℃反应4h，最后回流1h，测定牛黄酸含量折算收率94%。用电渗析法除去无机盐，然后浓缩结晶得牛黄酸57.2g，提取收率91.5%，纯度99.6%,总收率83.6%. 2硫酸酯化法 (1)2-氨基乙基硫酸氢酯的合成。在500mL烧瓶中加入乙醇胺（36.6g，0.6mol）和甲苯（100mL）,在水浴冷却及搅拌下滴加98%的硫酸（61.4g,0.626mol），约需50min滴完；再加入十六烷基三乙基氯化铵（1.4g,0.0039mol），溶剂用四氯化碳（CTC）,加热回流1.5-2h，分离出理论量的水（约11mL）；经冷却、过滤、洗涤、干燥，得2-氨基乙基硫酸氢酯83g(熔点273-279℃)，收率98.1%. (2)牛黄酸的合成。在500mL烧瓶中加入亚硫酸钠（75.6g,0.60mlo）和250mL水，在氮气保护下缓缓且均匀地加入硫酸氢酯(28.2g，0.2mol)，加完后继续回流10-12h生成牛黄酸；减压蒸去其中的水分，在漫漫加入浓硫酸100mL搅拌约1h，使产物溶解完全；滤出无机盐晶体，并用20mL浓盐酸洗涤两次。滤液减压浓缩至体积的一半，加入95%的乙醇50Ml,即有部分结晶析出；将滤液放入冰箱冷冻1-2h，过滤得粗品，再用浓盐酸重结晶一次即得产品21.3g(熔点298-301℃，收率85%。总收率为83%。 3二氯亚砜法在60℃下乙醇胺盐酸盐与SOCL2按化学式计算反应7h，得2-氯乙醇胺盐酸盐，产率99%。如用350mL 37%的盐酸与溶于800 mL甲苯中的244g乙醇胺反应，110℃共沸除去水分，冷却至50℃，加入3.2g NH4Cl催化剂，然后滴加14 mLSOCl2,生成2-乙醇胺盐酸盐。再将53.7g80%的上述产品溶液在3h内滴加到180mL、浓度为21。4%的亚硫酸钠溶液中，80℃下恒温反应4h，得含39.8g牛黄酸的水溶液，电渗析除盐，冷却至3℃下结晶纯化得产品纯度99.95%,收率95%。
所属类别一:食品添加剂: 营养强化剂: 氨基酸类
Alfa Aesar:牛磺酸;氨基乙磺酸;牛胆碱,99% Taurine, 99%(107-35-7)
用途三:牛磺酸虽不是构成蛋白质的氨基酸，但分布很广，是人体生长发育所必需的氨基酸，对促进儿童，尤其是婴幼儿大脑等重要器官的生长发育有很重要的作用。我国规定可用于儿童口服液，最大用量4.0～8.0g/kg；在婴幼儿食品、乳制品及谷类制品中使用量为0.3～0.5g/kg；在饮液和乳饮料中使用量为0.1～0.5g/kg。
检测方法:T,NMR
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