3-메르캅토프로피온산
3-Mercaptopropionic Acid
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기본 정보
- CAS
107-96-0- 표준 SMILES
O=C(O)CCS- InChIKey
DKIDEFUBRARXTE-UHFFFAOYSA-N- 분자식
- C3H6O2S
- 평균 분자량
- 106.15 g/mol
- 단동위원소 질량
- 106.00885043
개요
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.
이름 및 식별자
- 우선 이름
- 3-Mercaptopropionic Acid
- IUPAC
- 3-sulfanylpropanoic acid
- 현지명
- 3-메르캅토프로피온산
- 영어명
- 3-Mercaptopropionic acid
- 분자식
- C3H6O2S
- 분자량
- 106.14
이름 및 동의어
3-MERCAPTOPROPIONIC ACID3-Mercaptopropanoic acid107-96-03-Sulfanylpropanoic acid3-Thiopropanoic acid3-Thiopropionic acidbeta-Mercaptopropionic acidPropanoic acid, 3-mercapto-3MPA2-Mercaptoethanecarboxylic acidbeta-Thiopropionic acidThiohydracrylic acid
이름 더 보기
3-메르캅토프로피온산3-멜캅토프로피온산β-메르캅토프로피온산머캅토프로피오닉애씨드3-MPA3-mercaptopropionic3-thiopropionicacidThiopropionic acid3-mercapto-propionicaci3-mercapto-propanoicaciβ-Mercaptopropionic acid
beta-Mercaptopropanoic acidDTXSID8026775Propionic acid, 3-mercpato-3 Mercaptopropionic AcidB03TJ3QU9MNSC-437DTXCID106775FEMA NO. 4587
데이터베이스 식별자
- CAS
107-96-0- PubChem CID
- 6514
- DTXSID
DTXSID8026775- ChEMBL
CHEMBL358697- ChEBI
CHEBI:44111- UNII
- B03TJ3QU9M
- EC Number
- 203-537-0
- Nikkaji
- J38.166G
물성
구조 계산 물성보충 중
- XLogP
- 0.4
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 52.8
실험 및 물리화학적 성질
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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
유해성 정보
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
화학 및 산업
약리 정보
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
용도 및 제조
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
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