3-(Methylthio)propionaldehyde 甲硫基丙醛

CAS 3268-49-3 MFCD00007022

化学结构图

3268-49-3
SMILES: CSCCC=O

化学属性

Mol. FormulaC4H8OS
Mol. Weight104
Density1.043
Refractive index1.4810 to 1.4850
Vapor Density>;1 (vs air)
Boiling Point-
Vapor Pressure760 mmHg ( 165 °C)
Flash Point-
TSCAYes
Melting Point-58°

别名和识别编码

Chemical Name3-(Methylthio)propionaldehyde
CAS Number3268-49-3
EC Number221-882-5
Beilstein Registry Number1739289
MDL Number-
Synonym 2-硫代丁醛 3-(METHYLTHIO)PROPANAL 3-(METHYLTHIO)PROPIONALDEHYDE 3-(Methylmercapto)propionaldehyde 3-(Methylsulfanyl)propanal 3-(methylthio)-1-propanal 3-(methylthio)-propana 3-(methylthio)propionaldehyde (methional) 3-(methylthiol)propanal 3-Methyl-thiopropanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87572931
Reaxys-RN1739289
Chemical Name Translation甲硫基丙醛
LabNetwork Molecule IDLN00008241
InChIInChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
Canonical SMILES-
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Al
  • {SNA} Aldehydes, Building Blocks,
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products,

产品应用

  • 医药蛋氨酸的中间体。

相关文献及参考

  • Beilstein:1(4)3974

安全信息

Signal word
GHS Symbol
WGK Germany1
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触;
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
Precautionary statements
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P302+P350
  • P403+P233
  • P305+P351+P338+P310
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P370+P378
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P302+
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P308+P311
  • P302+P352+P312+P361+P364
  • P405 Store locked up. 上锁保管。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P304+P340+P311
  • 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。
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H331 Toxic if inhaled 吸入中毒
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302+H332
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUE2285000
Packing GroupIII
UN Number
Storage condition +4°C 0-10°C 2-8°C 4 4°C 4℃ Air Sensitive
Hazard Codes C Xn
Hazard Class6.1
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1620 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 49(1),85,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Gastrointestinal - alteration in gastric secretion
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0546239

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534366

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5400 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Mos

其他信息

  • 毒性:可安全用于食品(FDA,§172.515,2000)。
  • 毒性分级:中毒
  • 用途二:GB 2760--1996规定为
  • F:10-13-23
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 3-甲硫基丙醛 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 方法一:由3-甲硫基丙醇氧化而得。 由丙烯醛与甲硫醇在醋酸铜和甲酸存在下缩合而成。
  • Sigma Aldrich:3268-49-3(sigmaaldrich)
  • 类别:有毒物品
  • 图谱信息:3-甲硫基丙醛(3268-49-3)核磁图( 13 CNMR) 3-甲硫基丙醛(3268-49-3)核磁图( 1 HNMR) 3-甲硫基丙醛(3268-49-3)质谱(MS)
  • 用途一:用作食用香精
  • 海关编码:29309070
  • 参考质量标准:FCC,1996 FAO/WHO,1999 含量 ≥98.0% ≥98% 折射率(n D 20 ) 1.484~1.493 1.479~1.493 相对密度(d 25 25 ) 1.038~1.048 1.037~1.052 醇中溶解度 ImL溶于ImL 95%乙醇 酸值(OT-4) - ≤10.0
  • 急性毒性:口服-大鼠 LD50: 4400 毫克/ 公斤; 口服-小鼠 LD50: 1620 毫克/ 公斤
  • 蒸气压:760 mm Hg ( 165 °C)
  • 3-甲硫基丙醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw050006 3-甲硫基丙醛 50g 600元 2011/04/16 M0951 3-(甲硫基)丙醛 3-(Methylthio)propionaldehyde 25G 785元 2010/05/25 A14774 3-(甲基硫代)丙醛, 98% 3-(Methylthio)propionaldehyde, 98% 50g 1071元
  • 储运特性:库房通风低温干燥; 与食品、氧化剂分开储运
  • 外观性质:有恶臭的液体。沸点:166 °C 密度:1.041闪点:61 °C折光率:1.4840
  • 含量分析:按气液色谱法(GT-10-4)用极性柱进行测定。
  • Alfa Aesar:3-(甲基硫代)丙醛,98% 3-(Methylthio)propionaldehyde, 98%(3268-49-3)
  • 使用限量:FEMA(mg/kg):软饮料0.35;冷饮、糖果0.01~1.0;焙烤制品0.66;调味料0.62;肉类1.9。
  • 蒸气密度:>;1 (vs air)
  • 可燃性危险特性:明火可燃; 遇热分解有毒硫化物气体
  • 方法二:由丙烯醛与甲硫醇经加成反应而得。将丙烯醛和甲酸加入反应锅中,搅拌下加入乙酸酮,加热至30-40℃,通入经冷却、酸洗脱水的甲硫醇,至反应液相对密度达到1.060-1.074(20℃),即得3-甲硫基丙醛。
  • MSDS 信息:Methional(3268-49-3).msds
  • FEMA:2747
  • 用途三:医药蛋氨酸的中间体。
  • TCI Shanghai:3-(甲巯基)丙醛 3-(Methylthio)propionaldehyde,>;97.0%(GC)(3268-49-3)
  • 灭火剂:泡沫、雾状水、干粉、二氧化碳
  • 敏感性:Air Sensitive
  • MOL 文件:3268-49-3.mol
  • 上游原料:丙烯醛 --> 醋酸铜 --> 甲硫醇,压力包装,约为22克。 --> 3-甲硫基丙醇

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