4-Tert-Butylcatechol 4-叔丁基儿茶酚

CAS 98-29-3 MFCD00002201

化学结构图

98-29-3
SMILES: CC(C)(C)c1ccc(O)c(O)c1

化学属性

Mol. FormulaC10H14O2
Mol. Weight166.22
Boiling Point285°C at 760 mmHg
Melting Point52-55°C
Refractive indexn20/D 1.508
Density1.049
Flash Point>110°C
TSCAYes
Stability对湿度,光和空气敏感
SolubilitySoluble in ether, acetone, alcohol, and methanol (100 mg/ml). Insoluble in water

别名和识别编码

Chemical Name4-Tert-Butylcatechol
CAS Number98-29-3
PubChem Substance ID7381
EC Number202-653-9
Beilstein Registry Number2043335
MDL NumberMFCD00002201
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 Translation4-叔丁基儿茶酚
Reaxys-RN2043335
Wiswesser Line NotationQR BQ DX1&1&1
LabNetwork Molecule IDLN00193220
InChIInChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
Canonical SMILESOC1=CC=C(C(C)(C)C)C=C1O
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {SA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

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。

相关文献及参考

  • Beilstein: 6,IV,6014
  • Radical inhibitor and antioxidant.

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

系列性分类


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