Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아세틸메티오닌
아세틸메티오닌 · NAM · N-Acetylmethionine · AC-MET-OH · methionin · Acetylmethionine · ACETYL-L-METHIONINE · N-ACETYL-L-METHIONINE:AC-MET-OH
식별자 및 물리적 특성
| CAS No. | 65-82-7 |
|---|---|
| 분자식 | C7H13NO3S |
| 평균 분자량 | 191.25 g/mol |
| 단동위원소 질량 | 191.06161445 g/mol |
| SMILES | CSCC[C@H](NC(C)=O)C(=O)O |
| InChIKey | XUYPXLNMDZIRQH-LURJTMIESA-N |
| PubChem CID | 448580 |
| ChEBI | CHEBI:21557 |
| EC No. | 200-617-7 |
| DTXSID | DTXSID00883214 |
| 현지명 | 아세틸메티오닌 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 91.7 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 172 |
| LogP(분배 계수) | -0.03 |
| 용해도 | 307000307mg/mL at 25 °C메탄올: 용해성100mg/mL, 투명, 무색 |
| 녹는점 | 105.5105.5 °C103-106 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 150.1 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]142.6 Ų [M-H]- [CCS Type: DT142.7 Ų [M-H]-150.2 Ų [M+Na]+ |
| 끓는 점 | 235 °C(Press: 12 Torr) |
| 밀도 | 1.2684 (rough estimate) |
| 굴절률 | -21 ° (C=1, H2O) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 3.50±0.10(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,96 |
| BRN | 1725552 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 펩타이드 합성 |
| 화장품 원료 기능 | 피부 컨디셔닝 |
| InChI | 1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1 |
| InChIKey | XUYPXLNMDZIRQH-LURJTMIESA-N |
| SMILES | CSCC[C@H](NC(C)=O)C(O)=O |
| LogP(분배 계수) | -0.885 (est) |
| NIST | N-acetylmethionine(65-82-7) |
| EPA | L-Methionine, N-acetyl- (65-82-7) |
화학적 성질
white crystals
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.DangerH315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 7 reports by companies.There are 3 notifications provided by 3 of 7 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. |
|---|---|
| 규제 정보 | Regulation (EC) No 178/2002 (amended)L-Methionine, N-acetyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (28.6%)Eye Dam. 1 (14.3%)Eye Irrit. 2A (28.6%)STOT SE 3 (28.6%) |
| 독성 요약 | The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl MethionineSafe for use in cosmetics, with qualifications |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |