苄氨基乙醛缩二乙醇

苄氨基乙醛缩二乙醇 基本信息
CAS号 61190-10-1 分子式 C13H21NO2
分子量 223.31100 精确质量  223.15700
PSA  30.49000 LogP  2.56620

基本信息 展开↓

CAS号:
61190-10-1
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分子式:
C13H21NO2
分子量:
223.31100
中文名称:
苄氨基乙醛缩二乙醇
英文名称:
N-BenzylaminoAcetaldehyde Diethyl Acetal
中文别名:
苄氨基乙醛缩二乙醇;
N-苄基氨基乙醛缩二乙醇;
N-苄基氨基乙醛二乙基乙缩醛
英文别名:
N-BenzylaminoAcetaldehyde Diethyl Acetal;
N-BENZYLAMINOACETALDEHYDE DIETHYL ACETAL
精确分子量/精确质量:
223.15700
极性分子表面积/PSA:
30.49000
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。
贝尔斯坦号/MDL:
MFCD00051599
BRN:
2694610
InChI:
The Key: SXFVQTYQHWRYOS-UHFFFAOYSA-N

物化性质展开↓

沸点:
115-117°C 1mm
闪点:
115-117°C/1mm
折射率:
1.4890
存储条件/存储方法:

在密封的贮藏器内,并放置阴凉,干燥的地方保存

稳定性相关:

避免接触水

其它信息:

1.       性状:液体

2.       密度(g/cm3 ):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC未确定

5.       沸点(ºC0.05mmHg):90-92

6.       沸点(ºC,5.2kPa):未确定

7.       折射率(°):1.4890

8.       闪点ºC1mmHg):115-117

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值(25℃):未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性(mg/mL):未确定

安全信息展开↓

海关代码:
2922199090
危险类别码:
R34
安全说明:
S26-S36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
C:Corrosive;

合成路线查看所有的合成路线

  • 64-17-5

    乙醇

  • +

  • 61190-02-1

    N-(2,2-diethoxyethyl)-1-phenylmethanimine

  • 61190-10-1

    苄氨基乙醛缩二乙醇

  • 100-46-9

    苯甲胺

  • +

  • 621-62-5

    氯乙醛缩二乙醇

  • 61190-10-1

    苄氨基乙醛缩二乙醇

  • 100-44-7

    苄基氯

  • +

  • 645-36-3

    氨基乙醛缩二乙醇

  • 61190-10-1

    苄氨基乙醛缩二乙醇

毒理性展开↓

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: N-Benzyl-N-(2 2-diethoxyethyl)amine 95+% Material Safety Data Sheet
Synonym:
CAS: 61190-10-1
Section 1 - Chemical Product   MSDS Name:N-Benzyl-N-(2 2-diethoxyethyl)amine 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
61190-10-1 N-Benzyl-N-(2,2-diethoxyethyl)amine 95+% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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# 61190-10-1: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 115 - 117 deg C @1mmHg
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:
Molecular Formula: C13H21NO2
Molecular Weight: 223

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acid chlorides, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 61190-10-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Benzyl-N-(2,2-diethoxyethyl)amine - 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: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 61190-10-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61190-10-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61190-10-1 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:2922199090

概述:
2922199090. 其他氨基醇及其醚,酯和它们的盐(但含一种以上含氧基的除外). 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: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
摘要/Summary:
2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:66.01

2、   摩尔体积(m3/mol):226.7

3、   等张比容(90.2K):547.4

4、   表面张力(dyne/cm):34.0

5、   极化率10-24cm3):26.16

计算化学数据


1、   疏水参数计算参考值(XlogP):1.9

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:8

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):35.1

7、   重原子数量:16

8、   表面电荷:1

9、   复杂度:152

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:0

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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