1-Butanol,2-amino-4-(methylthio)-, (2R)-
- 中文别名：D-蛋氨醇
- 中文释义：D-蛋氨醇;(1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione;15,16-Dihydrotanshinone I;Dihydrotanshinone I;(3-Hydroxymethylphenyl)boronic acid;(2-Hydroxymethylphenyl)boronic acid, dehydrate;1-BOC-4-AMINOPIPERIDINE;1-BUTYLOXYCARBONYL-4-AMINO-
- 英文别名：(2R)-2-amino-4-methylsulfanylbutan-1-ol;
(S)-Methioninol;
H-D-Met-ol;
(R)-2-Amino-4-methylmercapto-butan-1-ol;
(R)-2-amino-4-methylthio-1-butanol;
(R)-2-amino-4-methylsulfanyl-butan-1-ol;
D(+)-Methioninol;
(R)-methioninol;
L-2-amino-4-methylsulfanylbutanol;
AmbotzFAL1006
- CAS No.：87206-44-8
- 分子式：
C5H13NOS
- 分子量：135.23
- 精确分子量：135.07200
- PSA：71.55000
- InChI：InChI=1/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1
- 分子结构式：
物化性质
- 外观与性状：
- 透明晶体
- 密度：
- 1.068 g/cm3
- 熔点：
- 31 - 33ºC
- 沸点：
- 198 - 200ºC
- 闪点：
- 113ºC
- 折射率：
- 1.5216
- 存储条件/存储方法：
密闭于0-6 ºC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℃）：1.095
3. 相对蒸汽密度（g/mL,空气=1）：无可用
4. 熔点（ºC）：31-36
5. 沸点（ºC,常压）：120-122
6. 沸点（ºC,5.2kPa）：无可用
7. 折射率： 1.5216
8. 闪点（ºC）：113
9. 比旋光度（º）：12.7（C=1.4, 乙醇）
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
- 外观与性状：
- 透明晶体
- 密度：
- 1.068 g/cm3
- 熔点：
- 31 - 33ºC
- 沸点：
- 198 - 200ºC
- 闪点：
- 113ºC
- 折射率：
- 1.5216
- 存储条件/存储方法：
密闭于0-6 ºC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℃）：1.095
3. 相对蒸汽密度（g/mL,空气=1）：无可用
4. 熔点（ºC）：31-36
5. 沸点（ºC,常压）：120-122
6. 沸点（ºC,5.2kPa）：无可用
7. 折射率： 1.5216
8. 闪点（ºC）：113
9. 比旋光度（º）：12.7（C=1.4, 乙醇）
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
毒理性
- 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
| Name: | D-(+)-Methioninol Material Safety Data Sheet |
| Synonym: | (R)-2-Amino-4-methylmercapto-1-butano |
| CAS: | 87206-44-8 |
Section 1 - Chemical Product MSDS Name:D-(+)-Methioninol Material Safety Data Sheet
Synonym:(R)-2-Amino-4-methylmercapto-1-butano
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 87206-44-8 | D-(+)-Methioninol | | 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:
Vacuum or sweep up material and place into a suitable disposal 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.
Keep refrigerated. (Store below 4C/39F.)
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# 87206-44-8: 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: Solid
Color: waxy
Odor: sulfurous odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120-122 deg C @ 1 m
Freezing/Melting Point: 31-36 deg C
Autoignition Temperature: Not available.
Flash Point: > 109 deg C (> 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density: 1.095
Molecular Formula: C5H13NOS
Molecular Weight: 135.1571
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, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 87206-44-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
D-(+)-Methioninol - 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
No information available.
IMO
No information available.
RID/ADR
No information available.
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# 87206-44-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 87206-44-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 87206-44-8 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：2930909090
- 概述：
- 2930909090. 其他有机硫化合物. 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
- 摘要/Summary：
- 2930909090. other organo-sulphur compounds. 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
分子结构数据
1、 摩尔折射率：38.23
2、 摩尔体积（m3/mol）：126.5
3、 等张比容（90.2K）：324.8
4、 表面张力（dyne/cm）：43.3
5、 极化率（10-24cm3）：15.15
计算化学数据
1、 疏水参数计算参考值（XlogP）：-0.3
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、 拓扑分子极性表面积（TPSA）：47.9
6、 重原子数量：8
7、 表面电荷：1
8、 复杂度：51.7
9、 同位素原子数量：0
10、 确定原子立构中心数量：1
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
