Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
시스-11-테트라데켄-1-일 아세트산
시스-11-테트라데켄-1-일아세트산 · 시스-11-테트라데켄-1-일아세트산(CIS-11-TETRADECEN-1-YLACETATE) · (Z)-11-TETRADECEN-1-YL아세테이트 · Z-11-TDA · Z11-14Ac · Ai3-28959 · (Z)-11-TDA · Z11-14:OAc
식별자 및 물리적 특성
| CAS No. | 20711-10-8 |
|---|---|
| 분자식 | C16H30O2 |
| 평균 분자량 | 254.41 g/mol |
| 단동위원소 질량 | 254.2245802 g/mol |
| SMILES | CC/C=C\CCCCCCCCCCOC(C)=O |
| InChIKey | YJINQJFQLQIYHX-PLNGDYQASA-N |
| PubChem CID | 5367692 |
| ChEMBL | CHEMBL3181839 |
| ChEBI | CHEBI:179801 |
| EC No. | 243-982-8 |
| DTXSID | DTXSID3035266 |
| 현지명 | 시스-11-테트라데켄-1-일 아세트산 |
화학 및 물리적 성질
| XLogP | 5.9 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 209 |
| Kovats Retention Index | 17881800.91783.71812174321372154 |
| 녹는점 | <25℃ |
| 끓는 점 | 316.2±11.0℃ (760 torr) |
| 밀도 | 0.878±0.06 g/cm3 (20 ºC 760 Torr) |
| 굴절률 | 1.4515 (20℃) |
| 인화점 | 87.2±17.6℃ |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름, 메탄올(소량)에 용해됨 |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| InChI | InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4- |
| InChIKey | YJINQJFQLQIYHX-PLNGDYQASA-N |
| SMILES | C(OC(=O)C)CCCCCCCCC/C=C\CC |
| LogP(분배 계수) | 6.490 (est) |
| EPA | (Z)-11-Tetradecen-1-ol acetate (20711-10-8) |
안전 및 규제
| GHS 분류 | WarningH315 (53.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (53.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (53.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (38.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 73 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Commission Regulation (EC) No 2229/20042008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160 |
| Hazard Classes and Categories | Skin Irrit. 2 (53.4%)Eye Irrit. 2 (53.4%)STOT SE 3 (53.4%)Aquatic Chronic 2 (38.4%) |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-33384 |
용도
용도
(Z)-11-Tetradecenyl Acetate is a sex pheremone component that can be found in various insect specie, such as O. nubilalis and Asian and European corn borers.