Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-메르캅토프로피온산
3-메르캅토프로피온산 · 3-멜캅토프로피온산 · β-메르캅토프로피온산 · 머캅토프로피오닉애씨드 · 3-Mercaptopropanoic acid · 3-MPA · 3-mercaptopropionic · 3-Sulfanylpropanoic acid
식별자 및 물리적 특성
| CAS No. | 107-96-0 |
|---|---|
| 분자식 | C3H6O2S |
| 평균 분자량 | 106.15 g/mol |
| 단동위원소 질량 | 106.00885043 g/mol |
| SMILES | O=C(O)CCS |
| InChIKey | DKIDEFUBRARXTE-UHFFFAOYSA-N |
| PubChem CID | 6514 |
| ChEMBL | CHEMBL358697 |
| ChEBI | CHEBI:44111 |
| EC No. | 203-537-0 |
| DTXSID | DTXSID8026775 |
| 현지명 | 3-메르캅토프로피온산 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 38.3 |
| 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 |
| 물질 분류 | Other Classes -> Organic Acids |
| 화장품 | Hair waving or straighteningReducingDepilatory |
| SpringerMaterials Properties | Optical coefficient |
| LogP(분배 계수) | 0.430 |
| 냄새 | STRONG & ACRID, SULFIDE LIKE ODOR유황 구운 냄새 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.218 AT 21 °C1.220-1.226 (20 °C)1.218 @ 21°C1.218 g/mL at 25 °C (lit.) |
| Color/Form | CLEAR LIQUIDAMORPHOUS CRYSTALS |
| 용해도 | SOL IN WATER, ALCOHOL, BENZENE, & ETHERSolublePractically insoluble or insoluble in waterSoluble (in ethanol)클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| 인화점 | 93 °C201 °F |
| 끓는 점 | 111 °C AT 15 MM HG110.00 to 111.00 °C. @ 15.00 mm Hg110-111 °C (15 mmHg)110-111 °C/15 mmHg (lit.) |
| 녹는점 | 16.8 °C15-18 °C (lit.) |
| 증기압 | 0.04 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.492(lit.) |
| FEMA | 4587 | 3-MERCAPTOPROPIONIC ACID |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | pK1:pK2:10.84(SH) (25°C) |
| 물리적 상태 | 결정질 분말, 결정 및/또는 덩어리 |
| 색상 | 하얀색 |
| 비중 | 1.218 |
| pH | 2 (120g/l, H2O, 20℃) |
| 향취 유형 | 유황의 |
| 폭발한계 | 1.60%(V) |
| 용해도 | 녹는 |
| JECFA Number | 1936 |
| BRN | 773807 |
| 안정성 | 공기에 민감한, 흡습성 |
| 화장품 원료 기능 | 제모제헤어 웨이브 또는 스트레이트피부의 산화 스트레스를 줄이세요 |
| InChI | 1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) |
| InChIKey | DKIDEFUBRARXTE-UHFFFAOYSA-N |
| SMILES | OC(=O)CCS |
| LogP(분배 계수) | -2.3 at 22℃ |
| NIST | 3-Thiolpropanoic acid(107-96-0) |
| EPA | 3-Mercaptopropanoic acid (107-96-0) |
| Absorption | cut-off at 270nm |
화학적 성질
clear colourless to yellowish liquid after melting
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.8% (36 of 942) of reports.DangerH290 (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. |
|---|---|
| 규제 정보 | 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/55913-Mercaptopropionic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | 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 tractInhalation may cause chemical pneumonitis[MSDSonline] |
| Hazard Classes and Categories | Met. Corr. 1 (76.4%)Acute toxicity (Oral) - Category 3 |
| Preventive Measures | ADEQUATE VENTILATION & PREVENTION OF CONTACT WITH BODY SURFACES ARE NEEDED IN HANDLING IN INDUSTRY. |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3] |
용도
용도
3-Mercaptopropionic acid is widely used in food and beverage industries as a flavoring agent. It is used in the production of PVC stabilizers, which are used as chain transfer agents in polymerizations. It can be used as primary or secondary, color stabilizer in combination with phenolic antioxidant for polymers.
일반 설명
3-Mercaptopropionic acid (3-MPA) is used as a self-assembled monolayer (SAM) with a thiol and carboxylic groups. It has short carbon chains and is mainly used as a capping agent on a variety of nanoparticles.