Anisole 苯甲醚

CAS 100-66-3 MFCD00008354

化学结构图

100-66-3
SMILES: COC1CCCCC1

化学属性

Refractive index1.5160 to 1.5190
Boiling Point154
Melting Point-37
Flash Point51°C(lit.)
TSCAYes
Autoignition Point887 °F
Vapor Density3.7 (vs air)
Vapor Pressure10 mmHg ( 42.2 °C)
Solubility不溶于水,溶于乙醇、乙醚。
Stability对光敏感
Density0.975
Mol. FormulaC7H8O
Mol. Weight108.14
Danger-Level-
pH-:-
Redox-

别名和识别编码

Chemical NameAnisole
Synonym ANISOLE Ether, methyl phenyl- Methoxybenzene Methoxybenzene, Methyl phenyl ether Methyl phenyl ether ether,methylphenyl 甲氧基苯 苯基甲基醚 苯甲醚 茴香醚
CAS Number100-66-3
PubChem Substance ID7519
EC Number202-876-1
Beilstein Registry Number506892
MDL NumberMFCD00008354
Reaxys-RN506892
Merck Number669
Chemical Name Translation苯甲醚
Wiswesser Line Notation1OR
LabNetwork Molecule IDLN00163734
InChIInChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
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品牌质保精细包装    现货库存    一流品牌服务   

分类

  • Amber Glass Bottles, Building Blocks, C2 to C8, Chemical Synthesis, Ethers,
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products, Kosher Certified Products
  • {SNA} A-B, A-F, Additional Standards, Alpha Sort, Analytical Standards,
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment
  • {SNA} Anhydrous Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents, Sure/Seal Bottles
  • {SNA} Amber Glass Bottles,

产品应用

  • A biochemical for proteomics research.

相关文献及参考

  • Merck:14,669 Beilstein:6(4)548
  • The rate of ortho-lithiation of anisole is accelerated dramatically in the presence of TMEDA, effective also in sub-stoichiometric amounts: Tetrahedron Lett., 35, 385 (1994). For discussion of the mechanism of ortho-lithiation, see: J. Org. Chem., 62, 3024 (1997). Although direct dilithiation with n-BuLi/TMEDA was unsuccessful, a sequence involving monolithiation, silylation and further lithiation at the 6-position gave the 2,6-disilyl derivative in 72% yield: J. Org. Chem., 49, 4657 (1984).
  • Merck:14,669
  • Short: II/19b
  • Widely used as a carbocation scavenger in the deblocking of, e.g. N-Boc or N-Cbz (Z) peptides with acidic reagents. Addition of anisole removes t-butyl or benzyl cations from the reaction mixture; see, e.g.: J. Chem. Soc., Chem. Commun., 922 (1976); Chem. Pharm. Bull., 25, 2929 (1977); Chem. Ber., 101, 3649 (1968).

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • 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。
  • P301+P310+P331
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P332+P313
  • P337+P313
  • 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
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
Risk Statements
  • R10 Flammable 易燃
  • R20 Harmful by inhalation 吸入有害
  • R38 Irritating to skin 刺激皮肤
  • R66 Repeated exposure may cause skin dryness or cracking 反复接触可能导致皮肤干燥或皴裂
RTECSBZ8050000
UN Number 2222
Packing GroupIII
Hazard Codes 3 Xn
Storage condition Store at RT. 密封保存。 密封避光保存。
Hazard Class3
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3700 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - changes in structure or function of salivary glands
   Kidney, Ureter, Bladder - hematuria
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   6,378,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 88,400,1946

TYPE OF TEST            : LDLo - Lowest published lethal dose
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 :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5000 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 28(6),43,1984

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 25 umol/L
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 54,133,1986

Restrict -

其他信息

  • 下游产品:1-甲基-4-咪唑甲酸 --> 4-(羟甲基)咪唑 --> 咪唑-4,5-二羧酸 --> 1-甲基-1H-咪唑-5-甲酸 --> 头孢地尼 --> 1,5-二氮杂双环[4.3.0]壬-5-烯 --> 1-甲基-1H-咪唑-4,5-二羧酸 --> 诱惑红 --> 敌菌净 --> 头孢布烯 --> 2-肼基甲基吡啶 --> 1H-咪唑-4-甲酸 --> 甲基多巴 --> 1-甲基-1H-咪唑-4,5-二甲腈 --> 吡啶-3-亚甲基肼,1-(3-吡啶基)甲基肼 --> 劳森试剂 --> 6-羟基-1-萘甲酸 --> 分散兰BGL --> 1-[4-(4-氨基-6,7-二甲氧基喹唑啉-2-基)-1,4-二氮杂环庚烷-1-基]丁-1-酮盐酸盐 --> 跟踪,示踪,微量 --> 间-油酰氨基-邻-甲氧基苯磺酸钠,净洗剂MA,洗净剂SL -
  • 用途四:用于有机合成,也用作溶剂、香料和驱虫剂。
  • {
  • 毒性分级:中毒
  • {Chemical
  • 常规方法:用铁桶内衬塑料袋包装。每桶净重100kg。贮存于阴凉、通风处。防潮、防晒。按有毒化学品规定贮运。
  • 图谱信息:苯甲醚(100-66-3)红外图谱(IR2) 苯甲醚(100-66-3)核磁图( 13 CNMR) 苯甲醚(100-66-3)质谱(MS) 苯甲醚(100-66-3)Ram
  • Acros Organics:苯甲醚 Anisole, extra pur
  • 下游产品:1-甲基-4-咪唑甲酸 --> 4-(羟甲基)咪唑 --> 咪唑-4,5-二羧酸 --> 1-甲基-1H-咪唑-5-甲酸 --> 头孢地尼 --> 1,5-二氮杂双环[4.3.0]壬-5-烯 --> 1-甲基-1H-咪唑-4,5-二羧酸 --> 诱惑红 --> 敌菌净 --> 头孢布烯 --> 2-肼基甲基吡啶 --> 1H-咪唑-4-甲酸 --> 甲基多巴 --> 1-甲基-1H-咪唑-4,5-二甲腈 --> 吡啶-3-亚甲基肼,1
  • TCI Shanghai:苯甲醚 Anisole,>;99.0%(GC)(100-66-3)
  • 职业标准:STEL 10 毫克/ 立方米
  • 蒸气压:10 mm Hg ( 42.2 °C)
  • 蒸气密度:3.7 (vs air)
  • {Ch
  • 下游产品:1-甲基-4-咪唑甲酸 --> 4-(羟甲基)咪唑 --> 咪唑-4,5-二羧酸 --> 1-甲基-1H-咪唑-5-甲酸 --> 头孢地尼 --> 1,5-二氮杂双环[4.3.0]壬-5-烯 --> 1-甲基-1H-咪唑-4,5-二羧酸 --> 诱惑红 --> 敌菌净 --> 头孢布烯 --> 2-肼基甲基吡啶 --> 1H-咪唑-4-甲酸 --> 甲基多巴 --> 1-甲基-1H-咪唑-4,5-二甲腈 --> 吡啶-3-亚甲基肼,1-(3-吡啶基)甲基肼 --> 劳森试剂 --> 6-羟基-1-萘甲酸 --> 分散兰BGL --> 1-[4-(4-氨基-6,7-二甲氧基喹唑啉-2-基)-1,4-二氮杂环庚烷-1-基]丁-1-酮盐酸盐 --> 跟踪,示踪,微量 --> 间-油酰氨基-邻-甲氧基苯磺酸钠,净洗剂MA,洗净剂SL --> 头孢卡品酯 --> 维拉帕米 --> 6-甲氧基萘甲酸 --> 阿诺克索牟抗氧剂
  • 用途三:GB 2760—1996规定为允许使用的食品用香料。主要用于配制香草、茴香和啤酒型香精。
  • 使用限量:FEMA(mg/kg):软饮料9.0;冷饮16;糖果51;焙烤食品34。 以适度为限(FDA§172.515,2000)。
  • 上游原料:氢氧化钠 --> 硫酸二甲酯 --> 苯酚 --> 二甲酯 --> 二甲醚
  • 防护
  • 参考质量标准:FCC,1996 馏程 154℃士2℃ 折射率(n D 20 ) 1.515~1.518 相对密度(d 25 25 ) 0.990~0.993 酚类试验 阴性
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃;燃烧排放刺激烟雾
  • 急性毒性:口服- 大鼠 L
  • 检测方法:GC

系列性分类