乙二醇双(3-胺丙基)醚

乙二醇双(3-胺丙基)醚 基本信息
CAS号 2997-01-5 分子式 C8H20N2O2
分子量 176.25700 精确质量  176.15200
PSA  70.50000 LogP  1.11780

基本信息 展开↓

CAS号:
2997-01-5
3D弹球模型:
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分子式:
C8H20N2O2
分子量:
176.25700
中文名称:
乙二醇双(3-胺丙基)醚
英文名称:
3-[2-(3-aminopropoxy)ethoxy]propan-1-amine
中文别名:
乙二醇双(3-胺丙基)醚;
乙二醇二(3-氨丙基)醚;
乙二醇双(3-氨丙基)醚;
3,3-(乙烷-1,2-二yl双(氧基))双(丙烷-1-胺)
英文别名:
3-[2-(3-aminopropoxy)ethoxy]propan-1-amine;
Jeffamine 176;
1,2-Bis(3-aminopropoxy)ethane;
3,3'-(Ethane-1,2-diylbis(oxy))bis(propan-1-amine);
EINECS 221-067-4;
1,10-Diamino-4,7-dioxadecane;
4,7-Dioxadecane-1,10-diamine;
Ethylene Glycol Bis(3-aMinopropyl) Ether
精确分子量/精确质量:
176.15200
极性分子表面积/PSA:
70.50000
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:
221-067-4
InChI:
InChI=1/C8H20N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-10H2/p+2

物化性质展开↓

密度:
0.975g/cm3
沸点:
275.9ºC at 760mmHg
闪点:
121.5ºC
蒸汽压:
0.00495mmHg at 25°C
存储条件/存储方法:

 密闭于阴凉干燥环境中

稳定性相关:

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):0.9837

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):127-130

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2922199090
危险类别码:
34-21
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。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:

合成路线查看所有的合成路线

  • 3386-87-6

    乙二醇双(丙腈)醚

  • 2997-01-5

    乙二醇双(3-胺丙基)醚

  • 61515-41-1

    3-(2-chloroethylsulfonyl)propanoyl chloride

  • 2997-01-5

    乙二醇双(3-胺丙基)醚

  • 3386-87-6

    乙二醇双(丙腈)醚

  • +

  • 7440-48-4

  • 2997-01-5

    乙二醇双(3-胺丙基)醚

  • +

  • 108-10-1

    4-甲基-2-戊酮

化学图谱

  1. 乙二醇二(3-氨丙基)醚红外图谱(IR1)

  2. 乙二醇二(3-氨丙基)醚质谱(MS)

  3. 乙二醇二(3-氨丙基)醚核磁图(13CNMR)

  4. 乙二醇二(3-氨丙基)醚核磁图(1HNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UI2800000
CHEMICAL NAME :
Propylamine, 3,3'-(ethylenedioxy)bis-
CAS REGISTRY NUMBER :
2997-01-5
BEILSTEIN REFERENCE NO. :
1744355
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H20-N2-O2
MOLECULAR WEIGHT :
176.30
WISWESSER LINE NOTATION :
Z3O2O3Z

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2830 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1250 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: 1 10-Diamino-4 7-dioxadecane Material Safety Data Sheet
Synonym:
CAS: 2997-01-5
Section 1 - Chemical Product   MSDS Name:1 10-Diamino-4 7-dioxadecane Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2997-01-5 1,10-Diamino-4,7-dioxadecane 221-067-4
Hazard Symbols: C
Risk Phrases: 21 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful in contact with skin. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the 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.

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# 2997-01-5: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 127 - 130 deg C @7mmHg
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: 0.984
Molecular Formula: C8H20N2O2
Molecular Weight: 176.26

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2997-01-5: UI2800000 LD50/LC50:
CAS# 2997-01-5: Oral, rat: LD50 = 2830 uL/kg; Skin, rabbit: LD50 = 1250 uL/kg.
Carcinogenicity:
1,10-Diamino-4,7-dioxadecane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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 21 Harmful in contact with skin.
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# 2997-01-5: No information available.
Canada
CAS# 2997-01-5 is listed on Canada's NDSL List.
CAS# 2997-01-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2997-01-5 is listed on the TSCA inventory.


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:49.67

2、   摩尔体积(m3/mol):180.6

3、   等张比容(90.2K):447.8

4、   表面张力(dyne/cm):37.7

5、   极化率10-24cm3):19.69

计算化学数据


1、   疏水参数计算参考值(XlogP):-1.2

2、   氢键供体数量:2

3、   氢键受体数量:2

4、   可旋转化学键数量:9

5、   拓扑分子极性表面积(TPSA):73.7

6、   重原子数量:12

7、   表面电荷:0

8、   复杂度:71.5

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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