Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Dioctyl sulfide
Dioctyl sulfide · N-OCTYL SULFIDE · OCTYL SULFIDE · dioctylsulfide · Dioctylsulfane · n-Octyl sulphide · dioctyl sulphide · 9-Thiaheptadecane
식별자 및 물리적 특성
| CAS No. | 2690-08-6 |
|---|---|
| 분자식 | C16H34S |
| 평균 분자량 | 258.5 g/mol |
| 단동위원소 질량 | 258.23812226 g/mol |
| SMILES | CCCCCCCCSCCCCCCCC |
| InChIKey | LOXRGHGHQYWXJK-UHFFFAOYSA-N |
| PubChem CID | 75901 |
| ChEMBL | CHEMBL2398216 |
| EC No. | 220-259-5 |
| DTXSID | DTXSID1062594 |
화학 및 물리적 성질
| XLogP | 7.7 |
|---|---|
| 극성 표면적 | 25.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 109 |
| Physical Description | Colorless liquid with a mild odor[Chevron Phillips MSDS] |
| Kovats Retention Index | 18851875189218381866.92048 |
| 녹는점 | -1°C |
| 끓는 점 | 180 °C10 mm Hg(lit.) |
| 밀도 | 0.842 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.462(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C, stored under nitrogen |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| 비중 | 0.85 |
| 용해도 | 물에 대한 용해도, 0.004678 mg/L @ 25°C(est) |
| BRN | 1701624 |
| InChI | 1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | LOXRGHGHQYWXJK-UHFFFAOYSA-N |
| SMILES | CCCCCCCCSCCCCCCCC |
| LogP(분배 계수) | 8.110 (est) |
| EPA | Octane, 1,1'-thiobis- (2690-08-6) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.7% (2 of 54) of reports.DangerH318 (72.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (14.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 54 reports by companies.There are 4 notifications provided by 52 of 54 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: Octane, 1,1'-thiobis- |
| 유해성 요약 | May cause irritation or injury to skin (pain, swelling, and blistering) and eyes (impaired vision), depending on severity of exposure and speed of treatmentHarmful by ingestion (may cause lung damage by aspiration)[Chevron Phillips MSDS] See Diethyl sulfide. |
| Hazard Classes and Categories | Eye Dam. 1 (72.2%)Eye Irrit. 2 (24.1%)Aquatic Chronic 3 (14.8%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2930.90.9250 |
| 위험 문구(R) | 41 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-39 |
| F 고인화성물질 | 13 |
| 위험 등급 | Eye Dam. 1 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
It is employed as a pharmaceutical intermediate.