结构:CSCCC(N)C(=O)O
HCID876

(+-)-Methionine

2-amino-4-methylsulfanylbutanoic acid

C5H11NO2S149.21 g/molCAS 26062-47-5

IDENTITY

结构与身份

标准 SMILES
CSCCC(N)C(=O)O
InChIKey
FFEARJCKVFRZRR-UHFFFAOYSA-N
分子式
C5H11NO2S
平均分子量
149.21 g/mol
单同位素质量
149.05104977

COMPUTED

结构计算性质

已同步
XLogP
-1.9
极性表面积
88.6 Ų
氢键供体
2
氢键受体
4
可旋转键
4
重原子
9
形式电荷
0
复杂度
97

PROPERTIES

实验与物化性质

来源:PubChem
Density

Relative density (water = 1): 1.3

Solubility

32.7 mg/mL at 25 °C

Solubility in water, g/100ml at 20 °C: 4.8

Soluble in water; Insoluble in ether

Soluble (in ethanol)

Boiling Point

300.00 to 301.00 °C. @ 760.00 mm Hg

Decomposition

281 °C

Melting Point

281 °C

Physical Description

Solid; [Merck Index] Colorless or white solid; [ICSC] White powder; [Sigma-Aldrich MSDS]

Solid

COLOURLESS CRYSTALS OR WHITE POWDER.

White crystalline platelets or powder; Characteristic aroma

GHS

GHS 分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 99% (197 of 199) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 197 of 199 companies (only 1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 199 reports by companies from 4 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 197 of 199 reports by companies.;There are 2 notifications provided by 2 of 199 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: DL-Methionine

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Methionine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methionine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Methionine: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information

IMAP assessments - DL-Methionine: Human health tier I assessment;IMAP assessments - DL-Methionine: Environment tier I assessment

Fire Hazards

Gives off irritating or toxic fumes (or gases) in a fire.

Hazards Summary

Causes pigmented or nucleated red blood cells, changes in leukocyte counts, and changes in liver, bladder, and spleen weights in repeated-dose oral studies of rats; [RTECS] No listed effects of short-term or long-term exposure; [ICSC] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]

EPA Safer Chemical

Chemical: DL-Methionine; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.

Chemical Dangers

Decomposes on heating. This produces toxic fumes of sulfur oxides and nitrous oxides.

Hazard Classes and Categories

Not Classified

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Use water spray, powder, foam, carbon dioxide.

First Aid Measures

Fresh air, rest.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

Safe Storage

Separated from strong oxidants. Well closed.

Spillage Disposal

Sweep spilled substance into covered containers. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye Prevention

Wear safety spectacles.

Ingestion Prevention

Do not eat, drink, or smoke during work.

Inhalation Prevention

Use local exhaust.

TOXICITY

毒理信息

来源:PubChem
Exposure Routes

The substance can be absorbed into the body by ingestion.

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: DL-Methionine

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Methionine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methionine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Methionine: Does not have an individual approval but may be used under an appropriate group standard

PHARMACOLOGY

药理信息

来源:PubChem
Cellular Locations

Cytoplasm;Extracellular

USES

用途与制造

来源:PubChem
Uses

An essential amino acid; Used therapeutically as an antidote for acetaminophen poisoning and a urinary acidifier; [Merck Index] Used as a flavoring agent and nutritional supplement; [FDA]

U.S. Production

2021: 246,400 lb

Industry Uses

Not Known or Reasonably Ascertainable

Use Classification

EPA Safer Chemical Functional Use Classes -> Enzymes and Enzyme Stabilizers

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Hair conditioning; Antistatic; Skin conditioning

General Manufacturing Information

Not Known or Reasonably Ascertainable

Methionine: ACTIVE

ALIASES

名称与别名

170
DL-METHIONINE59-51-8RacemethionineAcimetionLobamineUrimeth(+-)-MethionineDL-MethioninumMethionine, DL-2-amino-4-methylsulfanylbutanoic acid2-amino-4-(methylsulfanyl)butanoic acidFEMA No. 3301Methionine, amorphousMethionine DL-DL-2-Amino-4-(methylthio)-butyric acidDTXSID9020821NSC-924173JWT2K6T3DTXCID50821CHEBI:16811

REACTIONS

参与反应

88
HRID91019

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 91019 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID114948

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为生成物、反应物
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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID120077

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID134681

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID138356

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID 138356 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID152451

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID 152451 方程式

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HRID164952

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 164952 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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