CAS 98-29-3 MFCD00002201-4-Tert-Butylcatechol 4-叔丁基儿茶酚 TAO{mole}

4-Tert-Butylcatechol 4-叔丁基儿茶酚

CAS 98-29-3 MFCD00002201

化学结构图

SMILES: CC(C)(C)c1ccc(O)c(O)c1

化学属性

Mol. Formula	C10H14O2
Mol. Weight	166.22
Boiling Point	285°C at 760 mmHg
Melting Point	52-55°C
Refractive index	n20/D 1.508
Density	1.049
Flash Point	>110°C
TSCA	Yes
Stability	对湿度,光和空气敏感
Solubility	Soluble in ether, acetone, alcohol, and methanol (100 mg/ml). Insoluble in water

别名和识别编码

Chemical Name	4-Tert-Butylcatechol
CAS Number	98-29-3
PubChem Substance ID	7381
EC Number	202-653-9
Beilstein Registry Number	2043335
MDL Number	MFCD00002201
Synonym	4-(tert-Butyl)benzene-1,2-diol {LY} 4-(tert-Butyl)benzene-1,2-diol {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)benzene-1,2-diol
Chemical Name Translation	4-叔丁基儿茶酚
Reaxys-RN	2043335
Wiswesser Line Notation	QR BQ DX1&1&1
LabNetwork Molecule ID	LN00193220
InChI	InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
Canonical SMILES	OC1=CC=C(C(C)(C)C)C=C1O

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产品应用

抗氧剂。聚合抑制剂。稳定剂。
本品主要用作烯烃单体蒸馏或贮运时的高效阻聚剂，特别适用于不饱和树脂、苯乙烯、丁二烯、氯丁二烯和异戊二烯以及氯乙烯等单体。另外，本品可作为氨基甲酸酯催化剂的钝化剂，各种有机化合物的稳定剂等。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H302 Harmful if swallowed 吞食有害
H311 Toxic in contact with skin 皮肤接触中毒
H302+H312
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H303 May be harmfully swallowed 吞食可能有害

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

Hazard Codes 8 C,N

RTECSUX1400000

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。
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。
P302+P352+P312+P361+P364
P305+P351+P338
P305+P351+P338+P337+P313
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。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

Safety Statements

S24 Avoid contact with skin 避免皮肤接触；
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；
S36/37/39 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）；
S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Packing GroupIII

UN Number 2811 2923

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
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
R50/53
R51/53

Hazard Class6.1

Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#07874

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 630 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - somnolence (general depressed activity)
   Skin and Appendages - hair
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0571349

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2820 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 80 ug/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   11,523,1988

其他信息

Oxidation with laccase provides quinones which on reaction with dienes and oxidation afford naphthoquinones.
刺激数据:皮肤-兔 0.75 毫克/24小时重度; 眼睛-兔 0.050 毫克重度
对叔丁基邻苯二酚价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30030524 4-叔丁基邻苯二酚;对叔丁基邻苯二酚;4-叔丁基-1,2-二羟基苯;对第三丁基儿茶酚;对叔丁基儿茶酚 25g 22元 2011/08/23 30030527 4-叔丁基邻苯二酚;对叔丁基邻苯二酚;4-叔丁基-1,2-二羟基苯;对第三丁基儿茶酚;对叔丁基儿茶酚 250g 200元 2011/04/16 B0739 4-叔丁基邻苯二酚 4-tert-Butylpyrocatechol 25G 187元
图谱信息:对叔丁基邻苯二酚(98-29-3)质谱(MS) 对叔丁基邻苯二酚(98-29-3)红外图谱(IR2) 对叔丁基邻苯二酚(98-29-3)红外图谱(IR1) 对叔丁基邻苯二酚(98-29-3)核磁图( 13 CNMR) 对叔丁基邻苯二酚(98-29-3)核磁图( 1 HNMR)
方法一:由叔丁醇与邻苯二酚反应而得或由邻二酚与异丁烯反应而得。叔丁醇与邻苯二酚在二甲苯、磷酸介质中缩合，反应产物经沉降分离、中和、水洗、减压蒸馏、石油醚重结晶而得。原料消耗定额：邻苯二酚800kg/t、叔丁醇（≥85%）1100kg/t、磷酸（≥85%）500kg/t。
可燃。吸潮后即成为粘稠状液体。溶于甲醇、四氯化碳、苯、乙醚、乙醇及丙酮，溶解度（25℃，100g溶剂中）：甲醇500g，丙酮240g，乙酸乙酯240g，甲苯170g，苯80g。在60℃时阻聚效能较对苯二酚高25倍,几乎不溶于石油醚。低毒，半数致死量(大鼠，经口)2820mg/kg。有刺激性。
用途三:该品在60℃时阻聚效能较对苯二酚高25倍，为烯烃单体蒸馏或贮运时的高效阻聚剂，尤其用于苯乙烯、丁二烯、氯丁二烯、异戊二烯等单体。也用于氯乙烯、乙烯基吡啶、α-烯烃、壬烯、环戊二烯、异戊二烯、丙烯酸、甲基丙烯酸及其酯类、氯化烯烃、聚氨酯等。该品也用作聚乙烯、聚丙烯、聚氯丁二烯、合成橡胶、尼龙等聚合物的抗氧化剂，以及用作油脂及其衍生物，乙基纤维素、润滑油、己内酰胺、马来酸酐、锡等加金属皂类等多种化合物的抗氧剂。此外，还可用于聚氨酯催化剂的钝化剂、杀虫剂和各种有机化合物的稳定剂等。
Alfa Aesar:4-叔丁基苯邻二酚,98% 4-tert-Butylcatechol, 98%(98-29-3)
外观性质:无色晶体。
Acros Organics:4-叔丁基邻苯二酚 4-tert-Butylcatechol, 99%(98-29-3)
用途四:抗氧剂。聚合抑制剂。稳定剂。本品主要用作烯烃单体蒸馏或贮运时的高效阻聚剂，特别适用于不饱和树脂、苯乙烯、丁二烯、氯丁二烯和异戊二烯以及氯乙烯等单体。另外，本品可作为氨基甲酸酯催化剂的钝化剂，各种有机化合物的稳定剂等。
储运特性:库房低温通风干燥; 与食品原料分开存放
{C
下游产品:N-异丙基丙烯酰胺 --> 4-乙烯基吡啶 --> 4-羟基苯乙烯 --> 4-氰基苯乙烯 --> 5-乙基-2-吡啶乙醇 --> 3-氯苯乙烯
用途一:用作苯乙烯、丁二烯及其他乙烯基单体的阻聚剂，并用作抗氧剂、杀虫剂的稳定剂
灭火剂:二氧化碳, 干粉. 水雾
用途二:用作聚合抑制剂及抗氧化剂
上游原料:叔丁醇 --> 异丁烯 --> 邻苯二酚
类别:易燃固体
可燃性危险特性:遇热, 明火易燃; 热分解排出有毒辛辣刺激烟雾
急性毒性:口服-大鼠 LD50: 2820 毫克/公斤; 静脉-小鼠 LD50: 32 毫克/公斤
MSDS 信息:对叔丁基邻苯二酚(98-29-3).msds
毒性分级:高毒