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DL-蛋氨酸亚砜 | 454-41-1

DL-蛋氨酸亚砜结构式图片|454-41-1结构式图片
DL-蛋氨酸亚砜
H-DL-MET(O)-OH
454-41-1
C5H11NO3S
165.21074
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:DL-蛋氨酸亚砜结构式
DL-蛋氨酸亚砜MOL
847
名称和标识符
MDL MFCD00002620
InChIKey QEFRNWWLZKMPFJ-UHFFFAOYSA-N
Inchi InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
SMILES CS(CCC(C(=O)O)N)=O
别名信息
- 中文别名 -
  • DL-蛋氨酸亚砜
  • L-蛋氨酸亚砜
- 英文别名 -
  • H-DL-MET(O)-OH
  • DL-Methionine sulfoxide
  • (S)-Methionin-(S)-sulfoxid
  • DL-METHIONINE SULPHOXIDE
  • DL-METHIONINE-DL-SULFOXIDE
  • methionine (S)-sulfoxide
  • METHIONINE SULFOXIDE,DL
  • METHIONINESULPHOXIDE
  • Methioninesulfoxide
  • 98%
  • A821216
  • 2-amino-4-methylsulfinylbutanoic acid
  • 2-Amino-4-(methylsulfinyl)butyric acid
  • NSC 3084
  • HY-W010104A
  • (2S)-2-amino-4-[(R)-methylsulfinyl]butanoate
  • BUTYRIC ACID, .ALPHA.-AMINO-.GAMMA.-(METHYLSULFINYL)-
  • MFCD00002620
  • BUTYRIC ACID, 2-AMINO-4-(METHYLSULFINYL)-
  • 62697-73-8
  • methionine sulfoxide
  • 2-amino-4-methylsulfinyl-butanoic acid
  • EINECS 207-225-5
  • 2-amino-4-methanesulfinylbutanoic acid
  • AKOS002981911
  • SCHEMBL995666
  • (2S)-2-amino-4-methylsulfinyl-butanoic acid
  • L-METHIONINE_SULFOXIDE
  • Methionine S-oxide
  • QEFRNWWLZKMPFJ-UHFFFAOYSA-N
  • 2-Amino-4-(methylsulfinyl)butanoic acid #
  • Butanoic acid, 2-amino-4-(methylsulfinyl)-
  • methioninsulfoxid
  • NSC3084
  • SQ 2292
  • Butanoic acid, 2-amino-4-(methylsulfinyl)-, (.+/-.)-
  • dl-methioninesulfoxide
  • UNII-O74B4F6OYL
  • M0101
  • D91281
  • DTXSID60866947
  • AKOS022145012
  • EINECS 263-700-7
  • 2-Amino-4-(methanesulfinyl)butanoic acid
  • NS00015440
  • Q6823656
  • F05E9FBE-3980-4BE7-99D1-D9A465F9ABBE
  • (1)-2-Amino-4-(methylsulphinyl)butyric acid
  • L-methionine-S-sulfoxide
  • CS-0059319
  • Uethionine, S-oxide
  • 4241-59-2
  • CHEBI:49033
  • 2-Amino-4-(methylsulphinyl)butyric acid
  • AKOS003237046
  • DL-Methionine sulfoxide, >=99.0% (NT)
  • NS00080388
  • BRN 1723794
  • BS-42288
  • J-520417
  • EN300-366718
  • O74B4F6OYL
  • AI3-26385
  • bmse000397
  • FT-0753233
  • A868394
  • M-3220
  • methionine sulfoxide, dl-
  • NSC-3084
  • Butanoic acid, 2-amino-4-(methylsulfinyl)-, (+/-)-
  • H-DL-Met(O)-OH
  • 2-Amino-4-(methylsulfinyl)butanoic acid
  • FT-0625491
  • Methionine, S-oxide
  • 454-41-1
  • FT-0627958
  • NCGC00142606-01
物化性质
实验特性
LogP 0.73290
PSA 99.60000
折射率 1.5216 (estimate)
熔点 ~240 °C (dec.)
颜色与性状 未确定
溶解性 未确定
密度 1.183 (estimate)
计算特性
精确分子量 165.04600
氢键供体数量 2
氢键受体数量 5
可旋转化学键数量 4
同位素质量 165.045964
重原子数量 10
复杂度 148
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 2
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 99.6
安全信息
海关数据
海关编码 29304090
生产方法和用途
生产方法 1. 烟草:FC,51。
专业数据库参考
PubChemId 847
DL-蛋氨酸亚砜 MSDS
基础信息
Name: DL-Methionine Sulfoxide 99% Material Safety Data Sheet
Synonym: 2-Amino-4-(Methylsulfinyl)butyric Acid; Methionine Sulfoxide
CAS: 454-41-1
Section 1 - Chemical Product ? MSDS Name:DL-Methionine Sulfoxide 99% Material Safety Data Sheet
Synonym:2-Amino-4-(Methylsulfinyl)butyric Acid; Methionine Sulfoxide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
454-41-1 DL-Methionine Sulfoxide 99 207-225-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Adverse reproductive effects have been reported in animals.

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:
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.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 454-41-1: 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: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 232.00 - 234.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H11NO3S
Molecular Weight: 165.21

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 454-41-1: ES7120000 LD50/LC50:
Not available.
Carcinogenicity:
DL-Methionine Sulfoxide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 454-41-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 454-41-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 454-41-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
化合物详情(旧版)

SMILES

CS(=O)CCC(N)C(O)=O

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