3-Methyl-4-(methylthio)phenol 3-甲基-4-甲硫基苯酚

CAS 3120-74-9 MFCD00045773

化学结构图

3120-74-9
SMILES: CSc1ccc(O)cc1C

化学属性

Mol. FormulaC8H10OS
Mol. Weight154.23
Melting Point56-60 °C
TSCAT
Appearance 对甲硫基间甲酚为无色针状结晶,m.p.56~57℃,b.p.186℃/2.67kPa,相对密度1.10,不溶于水,易溶于有机溶剂。
Boiling Point151 °C at 15 mmHg

别名和识别编码

Chemical Name3-Methyl-4-(methylthio)phenol
CAS Number3120-74-9
Alfabeta NameMETHYLTHIOCRESOL O4()---
MDL NumberMFCD00045773
Synonym 3-Methyl-4-(methylthio)phenol {LY} 3-Methyl-4-(methylthio)phenol {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-(methylthio)phenol {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number221-496-7
Beilstein Registry Number1210322
PubChem Substance ID18391
Reaxys-RN1210322
Chemical Name Translation3-甲基-4-甲硫基苯酚
Wiswesser Line NotationQR C1 DS1
LabNetwork Molecule IDLN00120552
InChIInChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
Canonical SMILESOC1=CC=C(SC)C(C)=C1
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分类

  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 有机磷类杀虫剂

安全信息

Warnings IRRITANT, STENCH
RTECSGP2225000
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;
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护;
  • S37 Wear suitable gloves 戴适当手套;
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
WGK Germany3
GHS Symbol
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
  • 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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • 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.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H303 May be harmfully swallowed 吞食可能有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
UN Number 3335
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - true cholinesterase
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 43(8),10,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3400 mg/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - true cholinesterase
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 43(8),10,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - true cholinesterase
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 43(8),10,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/pag

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 下游产品:倍硫磷 --> 苯线磷
  • Alfa Aesar:4-甲硫基-间甲苯酚,97% 4-(Methylthio)-m-cresol, 97%(3120-74-9)
  • 上游原料:二甲基亚砜 --> 二甲苯 --> 硅凝胶 --> 光气(无法供) --> 间甲酚 --> 甲酰氯 --> 二甲基二硫
  • 用途二:对甲硫基间甲酚亦即3-甲基-4-甲硫基苯酚,用于合成杀虫剂倍硫磷、苯胺硫磷和杀线虫剂苯线磷。
  • 3-甲基-4-甲硫基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0531 4-(甲硫基)间甲酚 4-(Methylthio)-m-cresol 25G 541元 2011/04/16 M0531 4-(甲硫基)间甲酚 4-(Methylthio)-m-cresol 500G 3450元 2010/05/25 L07353 4-甲硫基-间甲苯酚,97% 4-(Methylthio)-m-cresol, 97% 5g 398元
  • 图谱信息:3-甲基-4-甲硫基苯酚(3120-74-9)红外图谱(IR2) 3-甲基-4-甲硫基苯酚(3120-74-9)核磁图( 1 HNMR) 3-甲基-4-甲硫基苯酚(3120-74-9)质谱(MS) 3-甲基-4-甲硫基苯酚(3120-74-9)核磁图( 13 CNMR) 3-甲基-4-甲硫基苯酚(3120-74-9)红外图谱(IR1)
  • TSCA:T
  • Sigma Aldrich:3120-74-9(sigmaaldrich)
  • MSDS 信息:3-Methyl-4-(methylthio)phenol(3120-74-9).msds
  • MOL 文件:3120-74-9.mol
  • 用途一:用作有机合成中间体
  • TCI Shanghai:4-甲硫基-3-甲基苯酚 4-(Methylthio)-m-cresol,>;95.0%(GC)(3120-74-9)
  • 方法一:对甲硫基间甲酚的制备主要有二甲基二硫法和二甲基亚砜法。 (1)二甲基二硫法 由间甲酚与二甲基二硫化物反应而得。 将间甲酚及二甲基二硫化物加入反应釜中,搅拌,冷却至0℃,滴加硫酸,约1h加完,在5℃以下保温反应3h,静置分层。有机层用10%碳酸钠溶液中和,然后用水洗至pH=7~8,减压蒸馏,回收未反应的间甲酚和二甲基二硫化物,所剩物料即为对甲硫基间甲酚。 (2)二甲基亚砜法 以间甲酚和二甲基亚砜为原料,此法又分氯化氢法、光气法和苯甲酰氯法,国内主要采用氯化氢法。 将二甲基亚砜和间甲酚混合并搅拌,在一定温度下通入氯化氢气体至饱和,待有大量白烟逸出为止。向反应生成的白色糊状锍盐中加入一定量的间甲酚作分解溶剂(一般也可用二甲苯),在室温下搅拌数分钟,赶出溶于锍盐中的氯化氢,然后在120~130℃回流分解1.5~2h,减压蒸出间甲酚后即得产品。
  • 用途三:农药中间体。
  • 方法二:由间甲酚与二甲二硫反应得到。将间甲酚和二甲二硫混合,滴加95%硫酸,控制反应温度10-15℃,反应5h后分出废酸,用纯碱溶液中和,分出水层,水洗,减压蒸除水、未反应的二甲二硫和甲酚,得3-甲基-4-甲硫基苯酚。

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