CAS 513-44-0 MFCD00004882-2-Methyl-1-propanethiol 异丁硫醇 TAO{mole}

2-Methyl-1-propanethiol 异丁硫醇

CAS 513-44-0 MFCD00004882

化学结构图

SMILES: CC(C)CS

化学属性

Mol. Formula	(CH3)2CHCH2SH
Mol. Weight	90
Refractive index	1.4380 to 1.4410
Boiling Point	88
Density	0.831
Vapor Density	3.1 (vs air)
Vapor Pressure	124 mmHg ( 37.8 °C)
Melting Point	-145 ºC
Flash Point	-10°C(lit.)
Solubility	微溶于水，易溶于乙醇、乙醚等。

别名和识别编码

Chemical Name	2-Methyl-1-propanethiol
Synonym	1-Isobutanethiol 1-Mercaptoisobutane 1-Propanethiol,2-methyl- 1-propanethiol, 2-methyl- 2-METHYL-1-PROPANETHIOL 2-METHYL-1-PROPANETHIOL, TECH., 92% 2-Methyl-1-propanethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number	513-44-0
PubChem Substance ID	10558
EC Number	208-162-6
Beilstein Registry Number	1730890
MDL Number	MFCD00004882
Reaxys-RN	1730890
Merck Number	5147
Chemical Name Translation	异丁硫醇
Wiswesser Line Notation	SH1Y1&1
LabNetwork Molecule ID	LN00164235
InChI	InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
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 Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes

RTECSTZ7630000

Precautionary statements

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。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
P242 Use only non-sparking tools. 只能使用无火花工具。
P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
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。
P264+P265
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。
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
P303+P361+P353
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P317
P337+P317
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
P362+P364
P370+P378
P403+P233
P403+P235
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word

UN Number

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
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；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；

Risk Statements

R11 Highly flammable 非常易燃
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Packing GroupII

Hazard Class3

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 917 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - excitement
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7168 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

其他信息

MSDS 信息:异丁硫醇(513-44-0).msds
用途一:分析试剂。
图谱信息:异丁硫醇(513-44-0)核磁图( 13 CNMR) 异丁硫醇(513-44-0)红外图谱(IR1) 异丁硫醇(513-44-0)核磁图( 1 HNMR) 异丁硫醇(513-44-0)质谱(MS)
FEMA:3874
使用限量:FEMA(mg/kg)：焙烤制品、无醇饮料、早餐谷物、冷饮、调味汁、肉制品、乳制品、软糖、汤品、甜沙司，均0.1～5.0；调味香料3000~10000。
异丁硫醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80026280 异丁硫醇 250ml 338.8元 2011/04/16 M0404 异丁硫醇 Isobutyl Mercaptan 500ML 3070元 2011/04/16 M0404 异丁硫醇 Isobutyl Mercaptan 25ML 366元
可燃性危险特性:易燃; 燃烧放出有毒二氧化硫气体; 遇水放出可燃有毒含硫化物气体
蒸气压:124 mm Hg ( 37.8 °C)
MOL 文件:513-44-0.mol
Sigma Aldrich:513-44-0(sigmaaldrich)
方法一:由溴代异丁烷经下述步骤制取。硫脲和溴代异丁烷以甲醇为溶剂，回流反应4-5h，回收甲醇后加入碱液再回流4h，加稀酸至酸性，随即就有异丁硫醇蒸出，直至不再蒸为止。分去水层，油层用无水硫酸镁干燥后，分出干燥剂，进行分馏，收集85-86℃馏分即为成品。
蒸气密度:3.1 (vs air)
类别:易燃液体
参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥92% 相对密度(d 25 25 ) 0.829~0.836
外观性质:无色液体，有强烈的特异气味。
毒性:GRAS(FEMA)。
TCI Shanghai:异丁硫醇 Isobutyl Mercaptan,>;98.0%(GC)(513-44-0)
毒性分级:低毒
上游原料:硫脲 --> 干燥剂 --> 溴代异丁烷
灭火剂:干粉, 二氧化碳, 1211, 砂土
刺激数据:眼睛-兔子 84 毫克中度
爆炸物危险特性:与空气混合形成爆炸性混合物;
储运特性:库房通风低温干燥; 与氧化剂, 酸类分开储运存放
F:13
急性毒性:口服-大鼠 LD50: 7168 毫克/公斤