英语词典化工词典

1-Hexanol, 2-amino-,(2S)-

1-Hexanol, 2-amino-,(2S)-


  • 中文别名:(S)-(+)-2-氨基-1-己醇
  • 中文释义:(S)-(+)-2-氨基-1-己醇;L-己氨醇
  • 英文别名:L-NORLEUCINOL;
    (S)-(+)-2-AMINO-1-HEXANOL;
    (S)-2-AMINO-1-HEXANOL;
    (S)-2-Amino-1-hexzanol;
    (2S)-2-Amino-1-hexanol 
  • CAS No.:80696-29-3
  • 分子式:

    C6H15NO

  • 分子量:117.19
  • 精确分子量:117.11500
  • PSA:46.25000
  • MDL:MFCD02683226
  • InChI:The Key: DPEOTCPCYHSVTC-LURJTMIESA-N
  • 分子结构式:

物化性质

熔点:
35-40ºC(lit.)
沸点:
216-218ºC(lit.)
闪点:
211 °F

安全信息

熔点:
35-40ºC(lit.)
沸点:
216-218ºC(lit.)
闪点:
211 °F

MSDS

Name: L-Norleucinol Material Safety Data Sheet
Synonym: (S)-(+)-2-Amino-1-hexano
CAS: 80696-29-3
Section 1 - Chemical Product   MSDS Name:L-Norleucinol Material Safety Data Sheet
Synonym:(S)-(+)-2-Amino-1-hexano
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
80696-29-3 L-Norleucinol unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
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.
Ingestion:
Get medical aid. Wash mouth out with 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.
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 water spray, dry chemical, carbon dioxide, or chemical foam.
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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
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# 80696-29-3: 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: 216 deg C @760mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 99 deg C ( 210.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H15NO
Molecular Weight: 117.19
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 80696-29-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L-Norleucinol - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 80696-29-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 80696-29-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 80696-29-3 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

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

计算化学数据

1、 疏水参数计算参考值(XlogP):0.5

2、 氢键供体数量:2

3、 氢键受体数量:1

4、 可旋转化学键数量:4

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA):47.9

7、 重原子数量:8

8、 表面电荷:1

9、 复杂度:47.8

10、同位素原子数量:0

11、确定原子立构中心数量:1

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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