Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
S-Methyl thioacetate
METHYL THIOACETATE · Methyl thiolacetate · S-METHYL ETHANETHIOATE · FEMA 3876 · CH3C(O)SCH3 · S-Methyl thioacetate · S-MethylThioacetate>S-METHYL ACETOTHIOACETATE · S-Methyl Thioacetate 98%
식별자 및 물리적 특성
| CAS No. | 1534-08-3 |
|---|---|
| 분자식 | C3H6OS |
| 평균 분자량 | 90.15 g/mol |
| 단동위원소 질량 | 90.01393598 g/mol |
| SMILES | CSC(C)=O |
| InChIKey | OATSQCXMYKYFQO-UHFFFAOYSA-N |
| PubChem CID | 73750 |
| ChEBI | CHEBI:51280 |
| EC No. | 216-252-1 |
| DTXSID | DTXSID3073264 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 42.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 42 |
| 밀도 | 0.817-0.8251,024 g/cm3 |
| 용해도 | soluble in oil and alcohol(in ethanol) |
| 끓는 점 | 95.00 to 96.00 °C. @ 760.00 mm Hg95-96 °C97-99°C |
| 굴절률 | 1.460-1.468n/D1.464 |
| Physical Description | Liquidcolourless to pale yellow liquid |
| Kovats Retention Index | 688675683671689.6701702699105610521046104110571090104710441060105010541052.21056.4 |
| 녹는점 | 97~99℃ |
| FEMA | 3876 | S-METHYL THIOACETATE |
| 인화점 | 12°C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| 비중 | 1.024 |
| 색상 | 무색 내지 거의 무색 |
| 냄새 | 프로필렌 글리콜 중 0.10%. 유황 계란 치즈 유제품 야채 양배추 |
| 향취 유형 | 유황의 |
| JECFA Number | 482 |
| InChI | 1S/C3H6OS/c1-3(4)5-2/h1-2H3 |
| InChIKey | OATSQCXMYKYFQO-UHFFFAOYSA-N |
| SMILES | CSC(C)=O |
| LogP(분배 계수) | 0.73 |
| EPA | Ethanethioic acid, S-methyl ester (1534-08-3) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.2% (3 of 1490) of reports.DangerH225 (13.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]H226 (86.4%): Flammable liquid and vapor [Warning Flammable liquids]H311 (99.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H319 (99.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (96.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1490 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 1490 reports by companies.There are 8 notifications provided by 1487 of 1490 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 | Chemical: Ethanethioic acid, S-methyl esterEthanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (13.4%)Flam. Liq. 3 (86.4%)Acute Tox. 3 (99.5%)Eye Irrit. 2 (99.5%)Acute Tox. 3 (96.8%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 1992 |
| 관세 코드 | 29309090 |
| 위험 문구(R) | 11-20/21/22-36-24-20 |
| 위험 표시 | F,T |
용도
출처
Reported found in melon, strawberry, onion, Gruyere and limburger cheese, fish oil, cooked beef, pork liver, beer, whiskies, grape wines, coffee and yellow passion fruit