3-Tert-Butyl-4-Hydroxyanisole 4-羟基-3-叔丁基苯甲醚

CAS 121-00-6 MFCD00040484

化学结构图

121-00-6
SMILES: COc1ccc(O)c(C(C)(C)C)c1

化学属性

Mol. FormulaC11H16O2
Mol. Weight180
Melting Point59.0 to 65.0 deg-C
Density1.009
Flash Point110 °C
SolubilitySoluble in ethanol, DMSO, acetone, and petroleum ether. Insoluble in water.

别名和识别编码

Chemical Name3-Tert-Butyl-4-Hydroxyanisole
Synonym {uni_hamburg} 2(3)-叔丁基-4-羟基苯甲醚 4-羟基-3-叔丁基-苯甲醚 BUTYL HYDROXY ANISOLE 3-叔丁基-4-羟基茴香醚 2-1,1-Dimethylethyl-4-methoxyphenol 3-BHA 3-叔丁基-4-羟基苯甲醚 叔丁基对羟基茴香醚(BHA) 2-tert-Butyl-4-methoxyphenol AKOS BBS-00008117 2-(1,1-dimethylethyl)-4-methoxy-pheno 2-(1,1-Dimethylethyl)-4-methoxyphenol 2-tert-butyl-4-methoxy-pheno Phenol, 2-(1,1-dimethylethyl)-4-methoxy- 丁化羟基茴香醚 BUTYLATED HYDROXYANISOLE 3-T-BUTYL-4-HYDROXYANISOLE 3-TERT-BUTYL-4-HYDROXYANISOLE 4-HYDROXY-3-TERT-BUTYLANISOLE 2-叔丁基-4-甲氧基苯酚 3-BHA BHA 2-tert-butyl-4-methoxyphenol BHA 2-叔丁基-4-甲氧基苯酚 3-BHA 4-羟基-3-叔丁基-苯甲醚 BHA 2-tert- 2-tert-Bha 4-甲基-2-叔丁基苯酚 2-TERT-BUTYL-4-METHOXYPHENOL 2-t-Butyl-4-methoxyphenol BHA抗氧剂 间叔丁基对羟基大茴香醚 TERT-BUTYL HYDROXYANISOLE 3-叔丁基-4-甲氧基苯酚 4-羟基-3-叔丁基苯甲醚;2-叔丁基-4-甲氧基苯酚;4-甲氧基-6-叔丁基苯酚;3-BHA 2-tert-butyl-4 丁化羟基甲苯 2-叔丁基-4-羟基苯甲醚 2-叔丁基-4-甲氧基苯酚 4-Methoxy-2-tert-butylphenol 2-(1,1-dimethylethyl)-4-methoxy-Phenol AURORA 4808
MDL NumberMFCD00040484
PubChem Substance ID87563724
Beilstein Registry Number1867499
CAS Number121-00-6
EC Number204-442-7
Reaxys-RN1867499
Chemical Name Translation4-羟基-3-叔丁基苯甲醚
Wiswesser Line Notation1X1&1&R BQ EO1
LabNetwork Molecule IDLN00221193
InChIInChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
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分类

  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards
  • {SNA} Additional Standards, Analytical Standards, Chromatography, Phar
  • {SNA} Additional Standards, Analytical Standards, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Pharmacopeia Metrological Institutes Standards, Secondary Standards, 分析/色谱
  • {SNA} Pharmacopoeia,
  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} Analytical/Chromatography, Pharmacopoeia, Pharmacopoeia A-Z
  • {uni_hamburg} no charg

产品应用

  • An antioxidant stabilizer of fats that has shown carcinogenicity at high doses

相关文献及参考

  • Short: EINECS
  • Short: IV/20B
  • Beilstein: 6,IV,6013

安全信息

WGK Germany2
RTECSSK1575000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
UN Number 3077
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P305+P351+P338+P337+P313
  • P302+
Packing GroupIII
Hazard Class9
GHS Symbol
Storage condition 0-6°C
Safety Statements
  • 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；
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 134 gm/kg/24W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 12,1341,1991

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 168 gm/kg/20W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 7,1285,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2910 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - other changes
REFERENCE :
   PLRCAT Pharmacological Research Communications.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1969-  Volume(issue)/page/year:
   16,1041,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 32 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - other changes
REFERENCE :
   PLRCAT Pharmacological Research Communications.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1969-  Volume(issue)/page/year:
   16,1041,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1583 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - other changes
REFERENCE :
   PLRCAT Pharmacological Research Communications.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1969-  Volume(issue)/page/year:
   16,1041,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 29 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - other changes
REFERENCE :
   PLRCAT Pharmacological Research Communications.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1969-  Volume(issue)/page/year:
   16,1041,1984

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 125 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 241,125,1990

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Fibroblast
DOSE/DURATION           : 30 mg/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 11,1985,1990

其他信息

  • 可燃性危险特性:热分解排出有毒辛辣刺激烟雾
  • 储运特性:库房通风低温干燥
  • Sigma Aldrich:121-00-6(sigmaaldrich)
  • 毒性分级:中毒
  • MOL 文件:121-00-6.mol
  • 急性毒性:口服-大鼠 LD50: 2910 毫克/公斤; 口服-小鼠 LD50: 1583 毫克/公斤
  • 4-羟基-3-叔丁基-苯甲醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0723 4-羟基-3-叔丁基苯甲醚 4-Hydroxy-3-tert-butylanisole 500G 1830元 2014/06/02 B0723 4-羟基-3-叔丁基苯甲醚 4-Hydroxy-3-tert-butylanisole 25G 246元
  • TCI Shanghai:2-叔丁基-4-甲氧基苯酚 4-Hydroxy-3-tert-butylanisole,>;98.0%(GC)(121-00-6)
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫
  • 类别:有毒物质
  • 图谱信息:4-羟基-3-叔丁基-苯甲醚(121-00-6)核磁图( 1 HNMR) 4-羟基-3-叔丁基-苯甲醚(121-00-6)质谱(MS) 4-羟基-3-叔丁基-苯甲醚(121-00-6)红外图谱(IR2) 4-羟基-3-叔丁基-苯甲醚(121-00-6)红外图谱(IR1)
  • 3-tert-Butyl-4-hydroxyanisole is antioxidant found to inhibit chemically-induced tumor formation in animals.

系列性分类

  1. Application Areas 应用领域分类
  2. Drug Discovery 新药研发
  3. Pharmacopoeia 药典
  4. Pharmacopoeia A-Z - Pharmacopoeia
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C9 to C20+ - Phenols

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