3,3'-Thiodipropionic acid 3,3-硫代二丙酸

CAS 111-17-1 MFCD00002781

化学结构图

111-17-1
SMILES: O=C(O)CCSCCC(=O)O

化学属性

Mol. FormulaC6H10O4S
Mol. Weight178.20
Melting Point131-134°C
TSCAYes
Density1.362
Flash Point128 ºC
Solubility40 G/L (25 ºC)
Appearance 白色结晶性固体,有轻微特殊气味。
Boiling Point409.3±30.0°C at 760 mmHg

别名和识别编码

Chemical Name3,3'-Thiodipropionic acid
MDL NumberMFCD00002781
PubChem Substance ID87576194
CAS Number111-17-1
Reaxys-RN1210299
Merck Number9332
Synonym 3,3'-Thiodipropanoic acid {LY} 3,3'-Thiodipropanoic acid {} {LY} 3,3'-Thiodipropanoic acid {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Thiodipropa
EC Number203-841-3
Beilstein Registry Number1210299
Chemical Name Translation3,3-硫代二丙酸
Wiswesser Line NotationQV2S2VQ
LabNetwork Molecule IDLN00195937
Canonical SMILESO=C(O)CCSCCC(O)=O
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分类

  • {SNA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SA} Chemical Synthesis, Others, Solid Supported Synthesis, Specialty Synthesis, Supported Reagents
  • {Chemicalbook} 食品添加剂: 抗氧化剂
  • {SNA} Chemical Synthesis, Other Supported Reagents,

产品应用

  • 抗氧剂,并用于生产硫代酯类抗氧剂。

相关文献及参考

  • Merck:14,9332
  • Merck:14,9332 Beilstein: 3,IV,735

安全信息

GHS Symbol
WGK Germany2
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H303 May be harmfully swallowed 吞食可能有害
Hazard Codes Xi
Signal word Warning
RTECSUF7990000
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AFREAW Advances in Food Research.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.1-32, 1948-88.  Volume(issue)/page/year: 3,197,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AFREAW Advances in Food Research.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.1-32, 1948-88.  Volume(issue)/page/year: 3,197,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AFREAW Advances in Food Research.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.1-32, 1948-88.  Volume(issue)/page/year: 3,197,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 175 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AFREAW Advances in Food Research.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.1-32, 1948-88.  Volume(issue)/page/year: 3,197,1951

TYPE OF TEST            : LDLo

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 水中溶解度:40 g/L (25°C),易溶于醇和丙酮。
  • 下游产品:硫代二丙酸双十二烷酯 --> 硫代二丙酸双十八醇酯
  • 毒性分级:中毒
  • 使用限量:总抗氧化剂量≤0.02%(以食品中油脂计,包括挥发性油;FDA§182.3109,2000)。
  • 方法一:由氯丙酸和硫化钠在硝酸存在下缩合蒸发浓缩,静置过滤,除盐脱色或精馏后结晶而得。
  • 用途一:抗氧剂,并用于生产硫代酯类抗氧剂
  • 鉴别试验:溶解性 溶于水,易溶于乙醇(OT-42)。 熔程130~134℃。 含硫量 17.5~18.5%。取试样0.700g,加乙酸100ml和乙醇50ml,缓慢加热至全部溶解。加盐酸3ml和对乙氧基柯依定试液(TS-98)4滴,然后小心地用0.1mol/L溴化物一溴酸盐试液(TS-45)进行滴定。至临近终点(粉红色)时,再加指示剂4滴以上,.并继续逐滴滴定至从红色变成淡黄色为止。同时进行空白试验并作必要的校正。每毫升0.1mol/L溴化物一溴酸盐试液相当于含硫(S)1.603mg。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品
  • Acros Organics:3,3'-硫代二丙酸 3,3'-Thiodipropionic acid, 99%(111-17-1)
  • Sigma Aldrich:111-17-1(sigmaaldrich)
  • 急性毒性:口服-大鼠 LD50: 3980 毫克/公斤; 口服-小鼠 LD50; 2000 毫克/公斤
  • 海关编码:29309070
  • 硫代二丙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0204 3,3'-硫代二丙酸 3,3'-Thiodipropionic Acid 25G 129元 2014/06/02 T0204 3,3'-硫代二丙酸 3,3'-Thiodipropionic Acid 500G 375元 2010/06/21 138750025 硫代二丙酸 3,3'-Thiodipropionic acid 99% 2.5 KG 1776元
  • 参考质量标准:FAO/WHO;1992 含量 ≥98.5% 硫酸盐灰分(GT-5) ≤0.2% 硒(GT-28) ≤30mg/kg 砷(GT-3-2) ≤3mg/kg 铅(GT-18;试样量lg) ≤10mg/kg 重金属(GT-16;试样量lg) ≤20mg/kg
  • 储运特性:库房通风低温干燥
  • 图谱信息:硫代二丙酸(111-17-1)核磁图( 1 HNMR) 硫代二丙酸(111-17-1)核磁图( 13 CNMR) 硫代二丙酸(111-17-1)质谱(MS) 硫代二丙酸(111-17-1)红外图谱(IR2) 硫代二丙酸(111-17-1)红外图谱(IR1)
  • 毒性:GRAS(FDA,§182.3109;2000)。 ADI 0~0.1(FAO/WHO,2001)。
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度; 眼睛-兔子 20 毫克/24小时 中度
  • MSDS 信息:3,3'-Thiodipropionic acid(111-17-1).msds
  • 用途二:抗氧化剂。
  • MOL 文件:111-17-1.mol
  • 含量分析:取试样0.350g,溶于40ml水中,加酚酞试液(TS-167)后用0.1mol/L氢氧化钠滴定至第一次出现浅粉红色并保持至少30s。每毫升0.1mol/L氢氧化钠相当于C6H10O4S 8.910mg。
  • TCI Shanghai:3,3'-硫代二丙酸 3,3'-Thiodipropionic Acid,>;99.0%(T)(111-17-1)
  • 可燃性危险特性:可燃; 燃烧产生有毒硫氧化物烟雾
  • Alfa Aesar:3,3'-硫代二丙酸,9
  • 用途三:抗氧剂,并用于生产硫代酯类抗氧剂。

系列性分类


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