Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸 2-메틸발레르산염
에틸2-메틸발레르산염 · Pentanoic acid, 2-methyl-, ethyl ester · ETHYL 2-METHYLVALERATE · 2-methyl-pentanoicaciethylester · ETHYL 2-METHYL PENTANOATE (MANZANATE) · MANZANATE · FEMA 3488 · FEMA NUMBER 3488
식별자 및 물리적 특성
| CAS No. | 39255-32-8 |
|---|---|
| 분자식 | C8H16O2 |
| 평균 분자량 | 144.21 g/mol |
| 단동위원소 질량 | 144.11502975 g/mol |
| SMILES | CCCC(C)C(=O)OCC |
| InChIKey | HZPKNSYIDSNZKW-UHFFFAOYSA-N |
| PubChem CID | 62902 |
| ChEMBL | CHEMBL3186172 |
| ChEBI | CHEBI:179947 |
| EC No. | 254-384-1 |
| DTXSID | DTXSID7047198 |
| 현지명 | 에틸 2-메틸발레르산염 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 99 |
| 밀도 | 0.859-0.8650.864 g/mL at 25 °C (lit.) |
| 용해도 | (in ethanol) |
| 끓는 점 | 153 °C153-152 °C (lit.) |
| 굴절률 | 1.401-1.404n20/D 1.403(lit.) |
| Physical Description | CBIDry PowderLiquidcolourless to pale yellow liquid |
| Kovats Retention Index | 923937917919.493694194011521141 |
| 증기압 | 7.56hPa at 20℃ |
| FEMA | 3488 | ETHYL 2-METHYLPENTANOATE |
| 인화점 | 103 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | Liquid |
| 비중 | 0.864 |
| 색상 | 무색 내지 거의 무색 |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 신선한 과일 녹색 멜론 사과 껍질 파인애플 천연 왁스 |
| 향취 유형 | 녹색 |
| 생물학적 소스 | synthetic |
| 용해도 | 467mg/L at 20℃ |
| JECFA Number | 214 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3 |
| InChIKey | HZPKNSYIDSNZKW-UHFFFAOYSA-N |
| SMILES | CCCC(C)C(=O)OCC |
| LogP(분배 계수) | 2.09 at 20℃ |
| NIST | Pentanoic acid, 2-methyl-, ethyl ester(39255-32-8) |
| EPA | Pentanoic acid, 2-methyl-, ethyl ester (39255-32-8) |
화학적 성질
Ethyl 2-Methylpentanoate is a colorless liquid with a fruity apple odor. It is used to create fruity top notes in perfumes for many purposes, for example, for shampoos, fabric conditioners, detergents, air fresheners, and soaps.
안전 및 규제
| GHS 분류 | WarningH226 (> 99.9%): 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 1861 reports by companies from 4 notifications to the ECHA C&L Inventory.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: Pentanoic acid, 2-methyl-, ethyl esterPentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester 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: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528Pentanoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (> 99.9%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3272 3/PG 3 |
| 관세 코드 | 29189900 |
| 위험 문구(R) | 10 |
| 안전 문구(S) | 16 |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3 |
| 기존화학 물질 | KE-13956 |
| 저장 분류 | 3 - Flammable liquids |