Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
다이헥실 아디페이트
다이헥실아디페이트 · 다이헥실 아디페이트 · DHA · dihexyl adipate · ihexylhexanedioate · Hexanedioic acid dih · hexyldiacidihexyl ester · Hexanedioic acid dihexyl ester
식별자 및 물리적 특성
| CAS No. | 110-33-8 |
|---|---|
| 분자식 | C18H34O4 |
| 평균 분자량 | 314.5 g/mol |
| 단동위원소 질량 | 314.24570956 g/mol |
| SMILES | CCCCCCOC(=O)CCCCC(=O)OCCCCCC |
| InChIKey | HHECSPXBQJHZAF-UHFFFAOYSA-N |
| PubChem CID | 8046 |
| ChEMBL | CHEMBL3185271 |
| EC No. | 203-757-7 |
| DTXSID | DTXSID9026841 |
| 현지명 | 다이헥실 아디페이트 |
화학 및 물리적 성질
| XLogP | 5.3 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 17 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 248 |
| 밀도 | 0.939 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9320 |
| 인화점 | 325 °F (USCG, 1999) |
| Physical Description | Di-n-hexyl adipate is a colorless liquid. Floats on water. (USCG, 1999) |
| Kovats Retention Index | 21402113 |
| Collision Cross Section | 202.5 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9026841] |
| 녹는점 | -13.8°C |
| 끓는 점 | 374.13°C (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.4397 (estimate) |
| 용해도 | 2.6mg/L at 20℃ |
| 화장품 원료 기능 | 피부 컨디셔닝피부 컨디셔닝 - 보습제용제 |
| InChI | 1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | HHECSPXBQJHZAF-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(=O)CCCCC(=O)OCCCCCC |
| LogP(분배 계수) | 6.2 at 20℃ |
| NIST | Hexanedioic acid, dihexyl ester(110-33-8) |
| EPA | Dihexyl adipate (110-33-8) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (17 of 17) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 17 of 17 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 17 of 17 reports by companies.There are 0 notifications provided by 0 of 17 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: Hexanedioic acid, dihexyl esterHexanedioic acid, 1,6-dihexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-dihexyl 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: 23-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12571Hexanedioic acid, dihexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 화재 위험 | Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999) |
| 건강 유해성 | Exposure can cause irritation of eyes, nose and throat. (USCG, 1999) |
| 반응성 그룹 | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Profile | DI-N-HEXYL ADIPATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Not Classified |
| 소화 | Fire Extinguishing Agents Not to Be Used: Water.Fire Extinguishing Agents: Dry chemical, alcohol foam, or carbon dioxide. (USCG, 1999) |
| 응급 처치 | Get medical attention.INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.EYES: Flush with water for at least 15 min., lifting lids occasionally.SKIN: Remove contaminated clothing and shoes. Wash with soap and water. (USCG, 1999) |
| Personal Protective Equipment (PPE) | Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999) |
| 독성 요약 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| 수질 위해 등급(WGK) | WGK 1 |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-10586 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
일반 설명
Colorless liquid. Floats on water.