Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
메틸 언데칸산염
메틸언데칸산염 · methyl n-undecanoate · Methylundecylate · Methyl undecanate · UNDECANOIC METHYL · METHYL UNDECANOATE · C11:0 METHYL ESTER · methyln-undecanoate
식별자 및 물리적 특성
| CAS No. | 1731-86-8 |
|---|---|
| 분자식 | C12H24O2 |
| 평균 분자량 | 200.32 g/mol |
| 단동위원소 질량 | 200.17763 g/mol |
| SMILES | CCCCCCCCCCC(=O)OC |
| InChIKey | XPQPWPZFBULGKT-UHFFFAOYSA-N |
| PubChem CID | 15607 |
| ChEBI | CHEBI:87527 |
| EC No. | 217-053-2 |
| DTXSID | DTXSID3061922 |
| 현지명 | 메틸 언데칸산염 |
화학 및 물리적 성질
| XLogP | 5.2 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 132 |
| Kovats Retention Index | 14101407141114221419142014061414140514081404.81409.81421.51422.51427142914321427.81430169417031710166516951699173216721686.71696.61701.81704.61705.71706.61711.61728.7 |
| 녹는점 | -10°C |
| 끓는 점 | 247-249 °C |
| 밀도 | 0.872 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.429(lit.) |
| 인화점 | 109°C |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 액체 |
| 색상 | 무색~담황색 투명 |
| 냄새 | 100.00%에서. 지방이 많고 밀랍 같은 과일향이 나는 |
| 향취 유형 | 밀랍같은 |
| 용해도 | 에탄올과 에테르에 용해됩니다. 물에 불용성. |
| BRN | 1762129 |
| InChI | 1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3 |
| InChIKey | XPQPWPZFBULGKT-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCC(=O)OC |
| LogP(분배 계수) | 4.861 (est) |
| EPA | Methyl undecanoate (1731-86-8) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.DangerH318 (22.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 7 of 9 reports by companies.There is 1 notification provided by 2 of 9 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: Undecanoic acid, methyl esterUndecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Undecanoic acid, methyl ester: Human health tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Eye Dam. 1 (22.2%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | YQ2573000 |
| 독성 | mouse,LDLo,intravenous,48mg/kg (48mg/kg),Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966. |
| 관세 코드 | 29159000 |
| 위험 문구(R) | 41 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25-39-26 |
| 기존화학 물질 | KE-35063 |
| 위험 등급 | Eye Dam. 1 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Methyl undecanoate is used as plasticizer in polymers. It is used as fragrance agent in aroma and flavor Chemicals.