DL-2-氨基丁醇

DL-2-氨基丁醇 基本信息
CAS号 13054-87-0 分子式 C4H11NO
分子量 89.13620 精确质量  89.08410
PSA  46.25000 LogP  0.41630

基本信息 展开↓

CAS号:
13054-87-0
3D弹球模型:
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分子式:
C4H11NO
分子量:
89.13620
中文名称:
DL-2-氨基丁醇
英文名称:
2-Aminobutan-1-ol
中文别名:
DL-2-氨基丁醇;
DL-2氨基丁醇;
(+/-)-2-氨基-1-丁醇
英文别名:
2-Aminobutan-1-ol;
DL-2-Amino-1-butanol
精确分子量/精确质量:
89.08410
极性分子表面积/PSA:
46.25000
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:
MFCD00008095
EINECS:
202-488-2
PubChem:
24846021
BRN:
1098274
InChI:
The Key: JCBPETKZIGVZRE-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明液体淡的胺气味
密度:
0.944 g/mL at 20 °C(lit.)
熔点:
-2 °C(lit.)
沸点:
179-183 °C(lit.)
闪点:
184 °F
折射率:
n20/D 1.452
其它信息:

1.       性状:未确定

2.       密度(g/mL,25):0.944

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):-2

5.       沸点(ºC,常压):未确定

6.       沸点(ºC0.1mmHg):未确定

7.       折射率:1.452

8.       闪点(ºF):184

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(20ºC):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: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:未确定

安全信息展开↓

包装等级:
III
风险类别:
8
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R22;R34
安全说明:
S26-S36/37/39-S45
RTECS号:
EK9625000
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)。
:
危险标志:
C:Corrosive;

化学图谱

  1. DL-2-氨基丁醇质谱(MS)

  2. DL-2-氨基丁醇红外图谱(IR1)

  3. DL-2-氨基丁醇Raman光谱

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MSDS 展开↓

Name: (+/-)-2-Amino-1-butanol 97% Material Safety Data Sheet
Synonym: 2-Aminobutan-1-ol
CAS: 13054-87-0
Section 1 - Chemical Product   MSDS Name:(+/-)-2-Amino-1-butanol 97% Material Safety Data Sheet
Synonym:2-Aminobutan-1-ol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13054-87-0 (+/-)-2-Amino-1-butanol 97 235-940-2
Hazard Symbols: C
Risk Phrases: 22 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns. May cause central nervous system depression, characterized by excitement, followed by headache, dizziness, drowsiness, and nausea. Advanced stages may cause collapse, unconsciousness, coma and possible death due to respiratory failure. May cause cardiac disturbances.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
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. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Use water spray to keep fire-exposed containers cool. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.
Runoff from fire control or dilution water may cause pollution.
Combustible liquid and vapor.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Do NOT get water inside containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.

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. Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep away from heat and flame.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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. Use only under a chemical fume hood.
Exposure Limits CAS# 13054-87-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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: Clear
Odor: Faint amine odor.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 176 - 178 deg C @ 760 mm Hg
Freezing/Melting Point: -2 deg C
Autoignition Temperature: Not applicable.
Flash Point: 84 deg C ( 183.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in water
Specific Gravity/Density: .9430g/cm3
Molecular Formula: C2H5CH(NH2)CH2OH
Molecular Weight: 89.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
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# 13054-87-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(+/-)-2-Amino-1-butanol - 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 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
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# 13054-87-0: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13054-87-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13054-87-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:25.60

2、   摩尔体积(m3/mol):96.1

3、   等张比容(90.2K):234.4

4、   表面张力(dyne/cm):35.3

5、   极化率10-24cm3):10.15

计算化学数据


1、   疏水参数计算参考值(XlogP):-0.4

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:2

5、   拓扑分子极性表面积(TPSA):46.3

6、   重原子数量:6

7、   表面电荷:0

8、   复杂度:30.7

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:1

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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