Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
메틸(메틸티오)아세테이트
메틸(메틸티오)아세테이트 · FEMA 4003 · Methyl 2-(methylthio)acetate · METHYL3-METHYLTHIOACETATE · METHYL (METHYLTHIO)ACETATE · Methyl (methylithio)acetate · METHYL S-METHYLTHIOGLYCOLATE · Methyl(Methylthio)acetate>METHYL (METHYLMERCAPTO)ACETATE
식별자 및 물리적 특성
| CAS No. | 16630-66-3 |
|---|---|
| 분자식 | C4H8O2S |
| 평균 분자량 | 120.17 g/mol |
| 단동위원소 질량 | 120.02450067 g/mol |
| SMILES | COC(=O)CSC |
| InChIKey | HZYCAKGEXXKCDM-UHFFFAOYSA-N |
| PubChem CID | 85522 |
| ChEBI | CHEBI:173329 |
| EC No. | 240-683-4 |
| DTXSID | DTXSID20168090 |
| 현지명 | 메틸(메틸티오)아세테이트 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 51.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 62 |
| 밀도 | 1.105-1.115 (20 °C)1.11 g/mL at 25 °C (lit.) |
| 용해도 | Soluble in non-polar solventsinsoluble in waterSoluble (in ethanol) |
| 끓는 점 | 49.00 to 51.00 °C. @ 12.00 mm Hg144-145 °C49-51 °C/12 mmHg (lit.) |
| 굴절률 | 1.464-1.466n20/D 1.4650(lit.) |
| Physical Description | Clear, colourless liquidFruity, pungent aroma |
| Kovats Retention Index | 9258559188898949049291412138614021395141413521393 |
| FEMA | 4003 | METHYL (METHYLTHIO)ACETATE |
| 인화점 | 140 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 비중 | 1.110 |
| 냄새 | 디프로필렌 글리콜 중 0.10%. 유황 요리 감자 구운 견과류 과일 열대 |
| 향취 유형 | 견과류 |
| 생물학적 소스 | synthetic |
| JECFA Number | 1691 |
| BRN | 1902431 |
| InChI | 1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3 |
| InChIKey | HZYCAKGEXXKCDM-UHFFFAOYSA-N |
| SMILES | COC(=O)CSC |
| LogP(분배 계수) | 0.82 |
화학적 성질
clear colorless to dark yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 52.9% (91 of 172) of all reports.WarningH226 (47.1%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 172 reports by companies from 4 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 91 of 172 reports by companies.There are 3 notifications provided by 81 of 172 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: Acetic acid, (methylthio)-, methyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 03-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23405Acetic acid, (methylthio)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (47.1%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3272 3/PG 3 |
| 관세 코드 | 29309090 |
| 위험 표시 | F |
| 안전 문구(S) | 24/25 |
| 포장분류 | III |
| 위험 등급 | 3.2Flam. Liq. 3 |
| F 고인화성물질 | 8-13 |
| 저장 분류 | 3 - Flammable liquids |
용도
출처
Reportedly present in cantaloupe, honeydew, watermelon, papaya, pineapple, durian (Durio zibethinus) and kiwifruit
용도
Methyl (methylthio)acetate may be used in chemical synthesis.
일반 설명
Methyl (methylthio)acetate is a thioether ester and is considered of importance to the aroma profiles of Cucumis melo fruit. It is identified as new sulfur volatile in strawberry.