N-乙酰基-S-(2-羟乙基)-L-半胱氨酸 | 15060-26-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-乙酰基-S-(2-羟乙基)-L-半胱氨酸
• 中文别名: (R)-2-乙酰氨基-3-((2-羟乙基)硫基)丙酸；甲基丙烯酸羟乙酯
• 英文名称: 2-(acetylamino)-3-[(2-hydroxyethyl)sulfanyl]-propionic acid
• 英文别名: N-acetyl-S-(2-hydroxyethyl)-L-cysteine；2-(hydroxyethyl)mercapturic acid；S-<β-Hydroxy-ethyl>-mercaptansaeure；S-(β-Hydroxy-ethyl)-mercaptansaeure；(2R)-2-acetamido-3-(2-hydroxyethylsulfanyl)propanoic acid
• CAS: 15060-26-1
• 化学式: C₇H₁₃NO₄S
• 分子量: 207.251
• InChiKey: NAYOYSKSFGMFOB-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 海关编码：
  2916140000

SDS

Name:	n-Acetyl-s-(2-hydroxyethyl)-l-cysteine Material Safety Data Sheet
Synonym:
CAS:	15060-26-1

Section 1 - Chemical Product MSDS Name:n-Acetyl-s-(2-hydroxyethyl)-l-cysteine Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
15060-26-1	N-acetyl-s-(2-hydroxyethyl)-l-cysteine	100.0	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).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 gastrointestinal irritation with nausea, vomiting and diarrhea. 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:
No information found.

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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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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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 water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 15060-26-1: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 0 deg C
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: C7H13NO4S
Molecular Weight: 207.24

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 15060-26-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-acetyl-s-(2-hydroxyethyl)-l-cysteine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 7/8 Keep container tightly closed and dry.
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# 15060-26-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15060-26-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15060-26-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  甲醇 、 N-乙酰基-S-(2-羟乙基)-L-半胱氨酸 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 以90%的产率得到S-(2-Hydroxy-ethyl)-N-acetyl-L-cystein-methylester
  参考文献：
  名称：

  Van Bladeren; Buys; Breimer, European Journal of Medicinal Chemistry, 1980, vol. 15, # 6, p. 495 - 497

  摘要：

  DOI：
• 作为产物：
  描述：

  N-乙酰-L-半胱氨酸 、 2-溴乙醇 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 12.0h， 以90%的产率得到N-乙酰基-S-(2-羟乙基)-L-半胱氨酸
  参考文献：
  名称：

  对乙酰半胱氨酸和2-溴乙醇合成2-(羟乙基)巯基酸

  摘要：

  在有机氯化合物造成环境污染的情况下，开发用于测定人体内生态毒物代谢物的有效方法是一项热门任务。亲电子异生物质，特别是有机氯污染物的代谢物之一是 2-(乙酰氨基)-3-[(2-羟基-乙基)硫烷基]丙酸 [2-(羟基乙基)巯基]酸 1，已知其形成于人体由于卤代乙烷或卤代乙烯的新陈代谢[1, 2]。

  DOI：

  10.1134/s1070428016050237

文献信息

• Nachtomi,E. et al., Israel Journal of Chemistry, 1966, vol. 4, p. 239 - 246
  作者：Nachtomi,E. et al.

  DOI：——

  日期：——
• PETERSON, LISA A.;HARRIS, THOMAS M.;GUENGERICH, F. PETER, J. AMER. CHEM. SOC., 110,(1988) N 10, 3284-3291
  作者：PETERSON, LISA A.、HARRIS, THOMAS M.、GUENGERICH, F. PETER

  DOI：——

  日期：——