3-メルカプトプロピオン酸
3-Mercaptopropionic Acid
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基本情報
- CAS
107-96-0- 標準SMILES
O=C(O)CCS- InChIKey
DKIDEFUBRARXTE-UHFFFAOYSA-N- 分子式
- C3H6O2S
- 平均分子量
- 106.15 g/mol
- 単同位体質量
- 106.00885043
概要
3-mercaptopropanoic acid is a mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3. It has a role as an algal metabolite. It is a conjugate acid of a 3-mercaptopropionate.
名称と識別子
- 優先名称
- 3-Mercaptopropionic Acid
- IUPAC
- 3-sulfanylpropanoic acid
- 現地名
- 3-メルカプトプロピオン酸
- 英語名
- 3-Mercaptopropionic acid
- 分子式
- C3H6O2S
- 分子量
- 106.14
名称と別名
3-MERCAPTOPROPIONIC ACID3-Mercaptopropanoic acid107-96-03-Sulfanylpropanoic acid3-Thiopropanoic acid3-Thiopropionic acidbeta-Mercaptopropionic acidPropanoic acid, 3-mercapto-3MPA2-Mercaptoethanecarboxylic acidbeta-Thiopropionic acidThiohydracrylic acid
名称をさらに表示
3-メルカプトプロピオン酸3-メルカプトプロパン酸β-メルカプトプロピオン酸メルカプトプロピオン酸βメルカプトプロピオン酸3-メルカプトプロピオネート3‐メルカプトプロピオン酸3-MPA3-mercaptopropionic3-thiopropionicacidThiopropionic acid3-mercapto-propionicaci3-mercapto-propanoicaciβ-Mercaptopropionic acid
beta-Mercaptopropanoic acidDTXSID8026775Propionic acid, 3-mercpato-3 Mercaptopropionic AcidB03TJ3QU9MNSC-437DTXCID106775FEMA NO. 4587
データベース識別子
- CAS
107-96-0- PubChem CID
- 6514
- DTXSID
DTXSID8026775- ChEMBL
CHEMBL358697- ChEBI
CHEBI:44111- UNII
- B03TJ3QU9M
- EC Number
- 203-537-0
- Nikkaji
- J38.166G
物性
構造計算による物性補完中
- XLogP
- 0.4
- 極性表面積
- 38.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 52.8
実験および物理化学的性質
Chemical ClassesOther Classes -> Organic Acids
CosmeticsHair waving or straightening; Reducing; Depilatory
SpringerMaterials PropertiesOptical coefficient
LogP
0.430
0.43
OdorSTRONG & ACRID, SULFIDE LIKE ODOR
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.218 AT 21 °C
1.220-1.226 (20 °C)
1.218 @ 21°C
Color/Form
CLEAR LIQUID
AMORPHOUS CRYSTALS
Solubility
SOL IN WATER, ALCOHOL, BENZENE, & ETHER
Soluble
Practically insoluble or insoluble in water
Soluble (in ethanol)
Flash Point93 °C
Boiling Point
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.8% (36 of 942) of reports.
Danger
H290 (76.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 942 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Propanoic acid, 3-mercapto-
Propanoic acid, 3-mercapto- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-mercapto- 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)
Status: Active Update: 23-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5591
3-Mercaptopropionic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary
Emergency treatment: irritants; [HSDB] An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions. [ChemIDplus] A skin irritant; [HSDB] Causes cleft palate in mice at maternally toxic doses (maternal seizures); [REPROTOX] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and Categories
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function.
Cellular LocationsCytoplasm
用途と製造
Uses
Used as a stabilizer, antioxidant, catalyst, chemical intermediate, and experimental convulsant agent; [HSDB]
STABILIZER; ANTIOXIDANT; CATALYST; CHEMICAL INTERMEDIATE
HAS BEEN TRIED IN COLD-WAVE PREPARATIONS
AS EXPERIMENTAL CONVULSANT AGENT
CHEM INT FOR 3,3'-THIODIPROPIONIC ACID-MAY BE UNISOLATED
For more Uses (Complete) data for 3-MERCAPTOPROPIONIC ACID (8 total), please visit the HSDB record page.
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 1,000,000 - <8,500,000 lb
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Consumer UsesPlasticizer
Industry UsesPlasticizer
関連反応
224 件
化合物ノート
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