2-Aminoethanesulfonic Acid 牛磺酸

CAS 107-35-7 MFCD00008197

化学结构图

107-35-7
SMILES: NCCS(=O)(=O)O

化学属性

Mol. FormulaC2H7NO3S
Mol. Weight125.15
Melting Point>300 °C
TSCAYes
Density1.0
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 index1.505
Boiling Point340°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 Name2-Aminoethanesulfonic Acid
CAS Number107-35-7
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 ID1123
EC Number203-483-8
Beilstein Registry Number1751215
MDL NumberMFCD00008197
Reaxys-RN1751215
Merck Number9074
Chemical Name Translation牛磺酸
Wiswesser Line NotationZ2SWQ
LabNetwork Molecule IDLN00194341
InChIInChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
Canonical SMILESNCCS(=O)(O)=O
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分类

  • {SNA} Allium sativum
  • {SNA} Amino acids, Bioactive Small Molecules, Cell Biology, Functional Foods, Nutrition Research, T
  • {SNA} Alphabetical Listings, Bioactive Small Molecules, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-Z, Q-Z,

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。

相关文献及参考

  • [2]. Xu YJ, et al. The potential health benefits of taurine in cardiovascular disease. Exp Clin Cardiol. 2008;13(2):57-65.
  • [3]. Kaneko H, et al. Taurine is an amino acid with the ability to activate autophagy in adipocytes. Amino Acids. 2018;50(5):527-535.
  • Beilstein:4(1)1244
  • Brosnan J. et al.: J. Nutrit., 136, 1636S (2006); Birdsall, T.C. et al.: Alt. Med. Rev., 3, 128 (1998); Foos, T.M. et al.: Neurochem. Res., 27, 21 (2002); Das, J. et al.: Pathophysiology, 15, 181 (200
  • De Saint Jan, D., Activation of human alpha1 and alpha2 homomeric glycine receptors by taurine and GABA. J. Physiol. 535 , 741, (2001) 摘要
  • For a monograph, see: Taurine, R. Huxtable, A. Barbeau, Eds., Raven Press, N.Y., (1975).
  • Merck 14 ,9074
  • Merck:14,9074
  • Short: III/10a
  • Short: III/20a
  • [1]. Ripps H, Shen W. Review:
  • [1]. Ripps H, Shen W. Review: taurine: a "very essential" amino acid. Mol Vis. 2012;18:2673-2686.

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
  • {C

系列性分类