1-二乙基氨-2-丙醇

1-二乙基氨-2-丙醇 基本信息
CAS号 4402-32-8 分子式 C7H17NO
分子量 131.21600 精确质量  131.13100
PSA  23.47000 LogP  0.70900

基本信息 展开↓

CAS号:
4402-32-8
3D弹球模型:
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分子式:
C7H17NO
分子量:
131.21600
中文名称:
1-二乙基氨-2-丙醇
英文名称:
1-Diethylamino-2-Propanol
中文别名:
1-二乙基氨-2-丙醇;
1-二乙氨基-2-丙醇;
1-二乙基氨基-2-丙醇;
1-二乙胺基-2-丙醇
英文别名:
1-Diethylamino-2-Propanol;
1-(diethylamino)propan-2-ol;
1-DiethylaMino-2-propanol
精确分子量/精确质量:
131.13100
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。
贝尔斯坦号/MDL:
MFCD00004535
EINECS:
224-537-7
PubChem:
24853185
BRN:
969221
InChI:
InChI=1/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/t7-/m0/s1

物化性质展开↓

密度:
0.889 g/mL at 25 °C(lit.)
熔点:
13.5 °C(lit.)
沸点:
55-59 °C13 mm Hg(lit.)
闪点:
92 °F
折射率:
n20/D 1.425(lit.)
存储条件/存储方法:

 避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:无色液体

2.       密度(g/mL ,25℃):0.889

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):13.5

5.       沸点(ºC):不确定

6.       沸点(ºC,13mmHg):55-59

7.       折射率:1.425

8.       闪点(ºF):92

9.       比旋光度(º):不确定

10.    燃点(ºC):33

11.     蒸汽压(20ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

包装等级:
III
风险类别:
3
海关代码:
2922199090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R10;R36/37/38
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 109-89-7

    二乙胺

  • +

  • 75-56-9

    (±)-环氧丙烷

  • ~93%

  • 4402-32-8

    1-二乙基氨-2-丙醇

  • 124-38-9

    二氧化碳

  • +

  • 109-89-7

    二乙胺

  • +

  • 75-56-9

    (±)-环氧丙烷

  • ~39%

  • 37499-12-0

    2-hydroxypropyl diethyl carbamate

  • +

  • 4402-32-8

    1-二乙基氨-2-丙醇

  • 5666-17-1

    N,N-二乙基烯丙胺

  • +

  • 7664-93-9

    硫酸

  • 4402-32-8

    1-二乙基氨-2-丙醇

化学图谱

  1. 1-二乙氨基-2-丙醇红外图谱(IR1)

  2. 1-二乙氨基-2-丙醇质谱(MS)

  3. 1-二乙氨基-2-丙醇核磁图(13CNMR)

  4. 1-二乙氨基-2-丙醇核磁图(1HNMR)

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毒理性展开↓

毒理学数据:

主要的刺激性影响

在皮肤上面:刺激皮肤和粘膜

   在眼睛上面:刺激的影响

   过敏作用:没有已知的敏化影响

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: 1-Diethylamino-2-Propanol 97% Material Safety Data Sheet
Synonym: None known
CAS: 4402-32-8
Section 1 - Chemical Product   MSDS Name:1-Diethylamino-2-Propanol 97% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4402-32-8 1-Diethylamino-2-Propanol 97 224-537-7
Hazard Symbols: XI
Risk Phrases: 10 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation. May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause CNS depression.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. Can produce delayed pulmonary edema. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.

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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
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. Do NOT use mouth-to-mouth resuscitation.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Containers may explode in the heat of a fire.
Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

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. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 4402-32-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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: Liquid
Color: clear slightly yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 55.0 - 59.0 deg C @ 13.00mmHg
Freezing/Melting Point: 13.5 deg C
Autoignition Temperature: Not available.
Flash Point: 33 deg C ( 91.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8890g/cm3
Molecular Formula: C7H17NO
Molecular Weight: 131.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, 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# 4402-32-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Diethylamino-2-Propanol - 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: ALCOHOLS, N.O.S.*
Hazard Class: 3
UN Number: 1987
Packing Group: III
IMO
Shipping Name: ALCOHOLS, N.O.S.
Hazard Class: 3.3
UN Number: 1987
Packing Group: III
RID/ADR
Shipping Name: ALCOHOLS, FLAMMABLE, N.O.S.
Hazard Class: 3
UN Number: 1987
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 7 Keep container tightly closed.
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 37 Wear suitable gloves.
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# 4402-32-8: No information available.
Canada
CAS# 4402-32-8 is listed on Canada's NDSL List.
CAS# 4402-32-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4402-32-8 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:39.69

2、   摩尔体积(m3/mol):149.2

3、   等张比容(90.2K):350.4

4、   表面张力(dyne/cm):30.4

5、   极化率10-24cm3):15.73

计算化学数据


1.疏水参数计算参考值(XlogP):0.7

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:4

5.互变异构体数量:无

6.拓扑分子极性表面积23.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:61.9

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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