Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-Hydroxy-3,7-dimethyloctanoic acid lactone
7-Isopropyl-4-methyloxepan-2-on · 7-isopropyl-4-methyloxepan-2-one · 4-methyl-7-propan-2-yloxepan-2-one · 4-methyl-7-propan-2-yl-oxepan-2-one · 2-Oxepanone, 4-methyl-7-(1-methylethyl)- · 7-isopropyl-4-methyloxepan-2-one USP/EP/BP
식별자 및 물리적 특성
| CAS No. | 499-54-7 |
|---|---|
| 분자식 | C10H18O2 |
| 평균 분자량 | 170.25 g/mol |
| 단동위원소 질량 | 170.13067981 g/mol |
| SMILES | CC1CCC(C(C)C)OC(=O)C1 |
| InChIKey | GGAXPLCKKANQED-UHFFFAOYSA-N |
| PubChem CID | 62349 |
| ChEBI | CHEBI:50243 |
| EC No. | 207-882-8 |
| DTXSID | DTXSID70862051 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 163 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.966-0.9730.926±0.06 g/cm3(Predicted) |
| 향미제 | EU Flavoring substances |
| 용해도 | very soluble in water and soluble in alcohol(in ethanol) |
| 끓는 점 | 247.00 to 248.00 °C. @ 760.00 mm Hg248.3±8.0 °C(Predicted) |
| 굴절률 | 1.457-1.461 |
| Physical Description | colourless, low-melting solid with a maple syrup or brown sugar odour |
| FEMA | 3355 | 6-HYDROXY-3,7-DIMETHYLOCTANOIC ACID LACTONE |
| 냄새 | 프로필렌 글리콜 중 1.00%. 메이플시럽 흑설탕 |
| 향취 유형 | 캐러멜 같은 |
| JECFA Number | 237 |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 2.23 |
| EPA | 2-Oxepanone, 4-methyl-7-(1-methylethyl)- (499-54-7) |
화학적 성질
6-Hydroxy-3,7-dimethyl octanoic acid, lactone has a maple syrup or brown-sugar odor
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.Not ClassifiedAggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2-Oxepanone, 4-methyl-7-(1-methylethyl)-2-Oxepanone, 4-methyl-7-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 2-Oxepanone, 4-methyl-7-(1-methylethyl)-: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| TSCA 등재 상태 | TSCA listed |