3-Mercaptopropanoic acid 3-巯基丙酸

CAS 107-96-0 MFCD00004897

化学结构图

107-96-0
SMILES: O=C(O)CCS

化学属性

Mol. FormulaC3H6O2S
Mol. Weight106
Refractive index1.4900 to 1.4940
Boiling Point110-111
Density1.218
Melting Point15-18
Flash Point132°C(lit.)
TSCAYes
Autoignition Point662 °F
Vapor Pressure0.04 mmHg ( 20 °C)
Solubility溶于水,溶于乙醇、苯、乙醚。
Stability对空气敏感,易吸潮

别名和识别编码

Chemical Name3-Mercaptopropanoic acid
CAS Number107-96-0
Synonym Β-硫代丙醇酸 3-MERCAPTO PROPIONATE NSC 437 3-mercpato-propionicaci B-THIOPROPIONIC ACID Propanoic acid, 3-mercapto- 3-Thiohydracrylsäure Β-硫氢基丙酸 ?-Mercaptopropanoic Acid β-巯基丙酸 acidemercapto-3propionique 3-巯基丙酸(BETA-巯基丙酸)/3-硫代乳酸 BETA-MERCAPTOPROPIONIC ACID 3-Mercaptopropanoic acid 硫代丙醇酸 NSC 45157 {uni_hambu β-巯基丙酸,硫代丙醇酸,硫代乳酸 Mercaptopropionic Acid MPA 3-mercaptopropanoicacid 3-Thiopropanoic acid Thiopropionic acid; 3-Thiopropanoic acid; beta-Mercaptopropionic acid 3-硫基丙酸 β-Mercaptopropanoic acid beta-Mercaptopropanoic acid 巰丙酸 PROPONOIC ACID, 3-MERCAPTO 3-mercaptopropionic Thiohydracrylic acid 3-mercapto-Propanoicacid 3-Mercaptopropionsäure beta-Thiopropionic acid 3MPA 氫硫丙酸 Hydracrylic acid, 3-thio- ?-Thiopropionic Acid 3-巯基丙酸 3-MERCAPTOPROPIONIC ACID beta-mercaptopropanoicacid 3-MPA 3-thiopropionicacid 3-sulfanylpropanoic acid ?-Mercaptopropionic Acid 3-Mercaptopropionic acid 3-mercapto-propionic acid 3-Sulfanylpropanoic acid 3-Thiopropionic acid 巯基丙酸 2-Mercaptoethanecarboxylic Acid Propionic acid, 3-mercapto- 3-Thiopropionic Acid PROPANOIC ACID, 3-MERCAPTO β-Mercaptopropionic acid 2-Mercaptoethanecarboxylic acid
PubChem Substance ID6514
EC Number203-537-0
Beilstein Registry Number773807
MDL NumberMFCD00004897
Reaxys-RN773807
Chemical Name Translation3-巯基丙酸
Wiswesser Line NotationSH2VQ
LabNetwork Molecule IDLN00225857
InChIInChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
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分类

  • Functional Thiols, Materials Science, Micro/NanoElectronics, Self Assembly & Contact Printing, Self-Assembly Materials, Thiols
  • {SNA} Functional Thiols, Micro/NanoElectronics, Self Assembly and Lithography, Self-Assembly Materials, Thiols, 材料科学
  • {SNA} Amino Acid Analysis, Amino Acid Analysis Reagents, Biochemicals and Reagents,
  • {SNA} Functional Thiols, Micro/NanoElectronics, Self Assembly & Contact Printing, Self-Assembly Materials, Thiols, 材料科学
  • {SNA} Amino Acid Analysis, Amino Acid Analysis Reagents, Peptide Analysis and Characterization, Peptides, 生化试剂
  • {uni_hamburg} no charge; carboxylic acid; thiol

产品应用

  • A compound suitable for amino acid analysis by means of OPA

相关文献及参考

  • In the presence of a free-radical initiator, acts as a chain transfer reagent in the telomerization of short oligomers for biotechnological applications: J. Polym. Sci. A, 37, 2977 (1999).
  • Short: III/38B
  • Beilstein:3,299
  • Short: EINECS
  • For a brief review of the reagent, see: Synlett, 1368 (2002).
  • Can behave as a sulfide ion equivalent, e.g. the Cu-catalyzed reaction with aryl iodides leads to the diaryl sulfide, with loss of acrylic acid (reverse Michael): Synthesis, 523 (1989):

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 8 T
RTECSUF5270000
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P310
  • P301+P330+P331+P310
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • 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;
  • S7 Keep container tightly closed 保存在严格密闭容器中;
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R25 Toxic if swallowed 吞咽有毒
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 2922
Storage condition Air Sensitive & Hygroscopic
Packing GroupII
Hazard Class8/6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 66 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
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: 1(5),231,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 96 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TRIPA7 Tin Research Institute, Publication.  (Middlesex, UK)  1934-76.  For
   publisher information, see IRIPDP.  Volume(issue)/page/year: -,1,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 38120 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CUTOEX Current Toxicology.  (Nova Science Publishers, Inc., 6080 Jericho
   Turnpike, Suite 207, Commack, NY  11725)  V.1    1993-
   Volume(issue)/page/year: 1,199,1993

其他信息

  • Acros Organics:3-巯基丙酸 3-Mercaptopropionic acid, 99+%(107-96-0)
  • Sigma Aldrich:107-96-0(sigmaaldrich)
  • Alfa Aesar:3-硫基丙酸,99% 3-Mercaptopropionic acid, 99%(107-96-0)
  • MOL 文件:107-96-0.mol
  • 用途二:该品为医药芬那露的中间体,也用作聚氯乙烯的稳定剂。它与硫代乙醇酸一样可用于透明制品,热稳定性非常好,优于其他稳定剂。还用作抗氧剂、催化剂和生化试剂。
  • 能与水、醇和醚混溶。
  • F:10-13
  • 运输贮存:107-96-0(3-巯基丙酸)应贮存于阴凉、通风、干燥库房中,远离火种、热源,防热、防潮、防水、防晒,运输中轻装轻放,以防包装破损,保持密封。
  • 图谱信息:3-巯基丙酸(107-96-0)红外图谱(IR1) 3-巯基丙酸(107-96-0)核磁图( 13 CNMR) 3-巯基丙酸(107-96-0)质谱(MS)
  • 用途三:用作抗氧剂、催化剂和生化试剂。 氨基酸的高速RP-HPLC/FC 分析。
  • 海关编码:29309070
  • 3-氯丙酸路线合成3-巯基丙酸中反应的各因素影响情况:3-氯丙酸为原料合成得到3-巯基丙酸(107-96-0),当控制取代反应介质pH=7,酸解反应时间2h,锌粉和3-氯丙酸摩尔比为0.77时,3-巯基丙酸(107-96-0)收率高迭78%,纯度大于99%(GC)。铁粉代替锌粉时,产品收率略有提高,为80%。
  • 上游原料:硫脲 --> 丙烯腈 --> 氢硫酸 --> 丙酮酸 --> beta-丙内酯
  • 3-巯基丙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 C125531000 3-巯基丙酸;硫代丙醇酸 100ml 286元 2011/08/23 LA1326101 3-巯基丙酸;硫代丙醇酸 100g 232元 2011/04/16 M0061 3-巯基丙酸 3-Mercaptopropionic Acid 500G 780元
  • 外观性质:透明液体, 有强烈的硫化物气味。
  • 用途一:用于医药中间体、电子化学品等
  • TCI Shanghai:3-巯基丙酸 3-Mercaptopropionic Acid,>;98.0%(GC)(T)(107-96-0)
  • MSDS 信息:β-巯基丙酸(107-96-0).msds
  • 方法一:以丙烯腈、硫脲为原料制得。先将硫脲与盐酸于40℃反应0.5h,滴加丙烯腈,在110-113℃反应3h,冷至40℃加入4%氢氧化钠溶液至pH值为11,脱氢4h后,于30℃用盐酸中和至pH值为1-2。然后加苯提取,回收苯后进行减压蒸馏,收集125-140℃馏分即得成品。此外,由硫化氢与丙酮酸或与β-丙内酯反应也可制得3-巯基丙酸。
  • 敏感性:Air Sensitive & Hygroscopic
  • 下游产品:N-异丙基丙烯酰胺-聚烯丙胺盐接枝共聚物 --> 3-甲基硫代丙酸 --> 芬那露 --> BUTYL-巯基丙酸正丁酯
  • 蒸气压:0.04 mm Hg ( 20 °C)
  • This is suitable for amino acid analysis by means of OPA. Has a high-speed RP-HPLC/FC analysis of amino acids

系列性分类