Alpha-甲基-1-哌啶乙醇

Alpha-甲基-1-哌啶乙醇 基本信息
CAS号 934-90-7 分子式 C8H17NO
分子量 143.22700 精确质量  143.13100
PSA  23.47000 LogP  0.79100

基本信息 展开↓

CAS号:
934-90-7
3D弹球模型:
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分子式:
C8H17NO
分子量:
143.22700
中文名称:
Alpha-甲基-1-哌啶乙醇
英文名称:
1-(piperidin-1-yl)propan-2-ol
中文别名:
Alpha-甲基-1-哌啶乙醇;
α-甲基-1-哌啶乙醇
英文别名:
1-(piperidin-1-yl)propan-2-ol;
3-piperidinopropan-2-ol;
N-2-hydroxypropyl piperidine
精确分子量/精确质量:
143.13100
极性分子表面积/PSA:
23.47000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
213-295-8
InChI:
The Key: UCASFSAKVJTSET-UHFFFAOYSA-N

物化性质展开↓

沸点:
221.8ºC at 760 mmHg
闪点:
90.9ºC

安全信息展开↓

海关代码:
2933399090

合成路线查看所有的合成路线

  • 110-89-4

    哌啶

  • +

  • 75-56-9

    (±)-环氧丙烷

  • ~94%

  • 934-90-7

    Alpha-甲基-1-哌啶乙醇

  • 110-89-4

    哌啶

  • +

  • 50-00-0

    甲醛

  • +

  • 64-17-5

    乙醇

  • ~31%

  • 934-90-7

    Alpha-甲基-1-哌啶乙醇

  • 123-91-1

    1,4-二氧六环

  • +

  • 19737-10-1

    2-hydroxy-1-piperidin-1-ylpropan-1-one

  • 5470-02-0

    1-PROPYLPIPERIDINE

  • +

  • 59193-10-1

    1-(1-piperidin-1-ylpropan-2-yl)piperidine

  • +

  • 934-90-7

    Alpha-甲基-1-哌啶乙醇

  • +

  • 57-55-6

    1,2-丙二醇

MSDS 展开↓

Name: Alpha-Methyl-1-Piperidineethanol 97% Material Safety Data Sheet
Synonym: None Known
CAS: 934-90-7
Section 1 - Chemical Product   MSDS Name:Alpha-Methyl-1-Piperidineethanol 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
934-90-7 Alpha-Methyl-1-Piperidineethanol 97 213-295-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 934-90-7: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: clear orange-yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 191-194 deg C @ 760.00mmHg
Freezing/Melting Point: Not available.
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: .9300g/cm3
Molecular Formula: C8H17NO
Molecular Weight: 143.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 934-90-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Alpha-Methyl-1-Piperidineethanol - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 934-90-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 934-90-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 934-90-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):0.9

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:2

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):23.5

7、   重原子数量:10

8、   表面电荷:0

9、   复杂度:89.3

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

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