4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
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4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 基本信息

中文名称:
4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 
中文别名:
4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 
英文名称:
1,3-Benzenedimethanol, a1-[[(1,1-dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-
英文别名:
4-[2-[benzyl(tert-butyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol;
EINECS 246-013-7 
CAS No.:
24085-03-8
分 子 式:
C20H27NO3
分 子 量:
329.43328
精确分子量:
329.19900
PSA:
63.93000
EINECS:
246-013-7
InChI:
The Key: NZBXAYHLQSMNQS-UHFFFAOYSA-N
分子结构式:
SDS:
查看

4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 物化性质

密度:
1.162g/cm3
沸点:
496ºC at 760 mmHg
闪点:
249.6ºC
折射率:
1.6
蒸汽压:
1.17E-10mmHg at 25°C

4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 安全信息

海关代码:
2922509090

4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 MSDS

Name: 1-(4-Hydroxy-3-hydroxymethylphenyl)-2-(tert-butylbenzylamino)ethanol Material Safety Data Sheet
Synonym:
CAS: 24085-03-8
Section 1 - Chemical Product   MSDS Name:1-(4-Hydroxy-3-hydroxymethylphenyl)-2-(tert-butylbenzylamino)ethanol Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
24085-03-8 1-(4-Hydroxy-3-hydroxymethylphenyl)-2- 246-013-7
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24085-03-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 114 - 118 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C20H27NO3
Molecular Weight: 329.44

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 24085-03-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Hydroxy-3-hydroxymethylphenyl)-2-(tert-butylbenzylamino)ethanol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 24085-03-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24085-03-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24085-03-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 海关数据

中国海关编码:2922509090

概述:
2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary:
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):2.9

2.氢键供体数量:3

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:3

6.拓扑分子极性表面积:63.9

7.重原子数量:24

8.表面电荷:0

9.复杂度:362

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 上游产品

4-(2-(苄基(叔丁基)氨基)-1-羟基乙基)-2-(羟甲基)苯酚 下游产品

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