CAS 80-46-6 MFCD00002369-4-Tert-Amylphenol 对叔戊基苯酚 TAO{mole}

4-Tert-Amylphenol 对叔戊基苯酚

CAS 80-46-6 MFCD00002369

化学结构图

SMILES: CCC(C)(C)C1CCC(O)CC1

化学属性

Mol. Formula	C11H16O
Mol. Weight	164.24
Boiling Point	255°C at 760 mmHg
Melting Point	88-89 °C
Density	0.962
TSCA	Yes
Flash Point	111°C
Solubility	37 MG/L (20 ºC)
Appearance	白色针状结晶。熔点94-95℃，沸点262.5℃，相对密度0.962(20/4℃)。溶于醇、醚、苯及氯仿，不溶于水。

别名和识别编码

Chemical Name	4-Tert-Amylphenol
CAS Number	80-46-6
PubChem Substance ID	87562082
EC Number	201-280-9
MDL Number	MFCD00002369
Reaxys-RN	1908224
Merck Number	7142
Beilstein Registry Number	1908224
Synonym	4-tert-Amylphenol {LY} 4-tert-Amylphenol {} {LY} 4-tert-Amylphenol {} {} {LY} 4-tert-Amylphenol {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation	对叔戊基苯酚
Wiswesser Line Notation	QR D1X1&1&1
LabNetwork Molecule ID	LN00005859
Canonical SMILES	CCC(C)(C)C1=CC=C(C=C1)O

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安全信息

GHS Symbol

WGK Germany2

Hazard Codes 8 C

Hazard statements

H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H302+H312
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

RTECSSM6825000

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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+P330+P331
P303+P361+P353
P303+P361+P353+P310+P363
P304+P340
P305+P351+P338
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P330 Rinse mouth. 漱口
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

UN Number 2430 UN2430

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；
S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
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；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

Risk Statements

R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
R34 Causes burns 会导致灼伤
R51/53

Packing GroupII

Hazard Class8

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 8/13/1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1830 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological
   Series, Bulletin. (Pittsburgh, PA)  1947-69.  Volume(issue)/page/year:
   6,1,1967

Storage condition

其他信息

可燃性危险特性:可燃; 燃烧产生刺激烟雾
上游原料:三氯化铝
TCI Shanghai:4-叔戊基苯酚 4-tert-Amylphenol,>;98.0%(GC)(80-46-6)
类别:易燃固体
Acros Organics:4-叔戊基苯酚 4-tert-Amylphenol, 99%(80-46-6)
毒性分级:中毒
Alfa Aesar:4-叔戊基苯酚,99% 4-tert-Pentylphenol, 99%(80-46-6)
用途一:用于有机合成。
MSDS 信息:4-tert-Amylphenol(80-46-6).msds
储运特性:库房通风低温干燥; 与氧化剂分开存放
灭火剂:干粉、雾状水、二氧化碳
方法一:叔戊醇和苯酚在溶剂石油醚中无水三氯化铝为催化剂发生反应，温度控制在20℃以下，得到的产物通过蒸馏和石油醚重结晶进行精制，收率为80-90%
刺激数据:皮肤-兔子 0.1 毫克/24小时中度; 眼睛-兔子500 毫克重度
MOL 文件:80-46-6.mol
Sigma Aldrich:80-46-6(sigmaaldrich)
对叔戊基苯酚价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 A0460 4-叔戊基苯酚 4-tert-Amylphenol 500G 429元 2014/06/02 A0460 4-叔戊基苯酚 4-tert-Amylphenol 25G 224元 2010/06/21 167332500 对叔戊基苯酚 4-tert-Amylphenol 99% 250 GR 519元
急性毒性:口服-大鼠 LD50: 1830 毫克/公斤; 皮肤-兔子 LD50: 2000 毫克/公斤
图谱信息:对叔戊基苯酚(80-46-6)质谱(MS) 对叔戊基苯酚(80-46-6)核磁图( 13 CNMR) 对叔戊基苯酚(80-46-6)红外图谱(IR2) 对叔戊基苯酚(80-46-6)红外图谱(IR1) 对叔戊基苯酚(80-46-6)核磁图( 1 HNMR)