2-氨基戊醇

2-氨基戊醇 基本信息
CAS号 16369-14-5 分子式 C5H13NO
分子量 103.16300 精确质量 　103.10000
PSA 　46.25000 LogP 　0.80640
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
16369-14-5
分子式：
C5H13NO
分子量：
103.16300
中文名称：
2-氨基戊醇
英文名称：
2-aminopentan-1-ol
中文别名：
2-氨基戊醇;
2-amino-3-methylbutan-1-ol;
(2S)-1-hydroxy-3-methylbutan-2-aminium;
(2R)-1-hydroxy-3-methylbutan-2-aminium;
DL-2-Amino-3-methyl-1-butanol;
4-AMINOPYRIMIDINE-5-CARBONITRILE;
ethyl 2-ethoxyquinoline-1(2H)-carboxylate;
ethyl (2S)-2-ethoxyquinoline-1(2H)-carboxylate;
ethyl (2R)-2-ethoxyquinoline-1(2H)-carboxylate;
EEDQ;
1-phenylethane-1,2-diol;
(1R)-1-phenylethane-1,2-diol;
(R)-(-)-Styrene Glycol;
(R)-1-Phenyl-1,2-Ethanediol;
(R)-(-)-1-Phenyl-1,2-ethanediol;
Perhydrodibenzo-18-crown-6;
cis-Dicyclohexano-18-crown-6;
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-;
Icosahydrodibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin;
Dicyclohexano-18-crown-6, mixture of isomers;
icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aR,15aR,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aS,15aS,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aR,15aS,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aS,15aR,22aS)-icosahydrodi;
Dicycl
英文别名：
2-aminopentan-1-ol;
2-AMINO-1-PENTANOL;
2-Aminopentanol;
2-AminopentanolDL-Norvalinol;
2-AMinopentanol 1GR;
D/L-NORVALINOL;
2-AMINOPENTANOL
精确分子量/精确质量：
103.10000
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：
MFCD00009809
InChI：
InChI=1/C5H13NO/c1-2-3-5(6)4-7/h5,7H,2-4,6H2,1H3/p+1/t5-/m1/s1

物化性质展开↓

密度：
0.915g/cm3
沸点：
195.6ºC at 760mmHg
闪点：
95ºC
折射率：
n20/D 1.4511(lit.)
蒸汽压：
0.108mmHg 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℃）：0.922

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）：194-195

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：1.452-1.454

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↓

危险类别码：
36/37/38
安全说明：
26-37/39
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。
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：
Xi: Irritant;

毒理性展开↓

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: 2-Aminopentanol 98% Material Safety Data Sheet
Synonym: DL-Norvalino
CAS: 16369-14-5
Section 1 - Chemical Product   MSDS Name:2-Aminopentanol 98% Material Safety Data Sheet
Synonym:DL-Norvalino
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16369-14-5 2-Aminopentanol 98% 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.
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# 16369-14-5: 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: clear colorless to light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C5H13NO
Molecular Weight: 103.16
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 16369-14-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Aminopentanol - 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# 16369-14-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16369-14-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16369-14-5 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：30.24

2、   摩尔体积（m3/mol）：112.6

3、   等张比容（90.2K）：274.2

4、   表面张力（3.0 dyne/cm）：35.1

5、   极化率（0.5 10-24cm3）：11.98

计算化学数据

1.疏水参数计算参考值（XlogP）:-0.1

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:3

5.互变异构体数量:无

6.拓扑分子极性表面积46.2

7.重原子数量:7

8.表面电荷:0

9.复杂度:39.1

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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