Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,10-데칸디올
1,10-데칸디올 · 1,10-데칸다이올 · Decanediol · Decane-1,10-diol · NSC406706 · NSC 406706 · NSC-406706 · Cetanediol
식별자 및 물리적 특성
| CAS No. | 112-47-0 |
|---|---|
| 분자식 | C10H22O2 |
| 평균 분자량 | 174.28 g/mol |
| 단동위원소 질량 | 174.16197994 g/mol |
| SMILES | OCCCCCCCCCCO |
| InChIKey | FOTKYAAJKYLFFN-UHFFFAOYSA-N |
| PubChem CID | 37153 |
| EC No. | 203-975-2 |
| DTXSID | DTXSID3059420 |
| 현지명 | 1,10-데칸디올 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 64.2 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| 화장품 | Cosmetic ingredients (1,10-Decanediol) -> CIR (Cosmetic Ingredient Review) |
| SpringerMaterials Properties | Density |
| Physical Description | LiquidSolid[Merck Index] White solid[Sigma-Aldrich MSDS] |
| 녹는점 | 70-73 °C |
| 끓는 점 | 297 °C |
| 밀도 | 1,08 g/cm3 |
| 증기압 | <0.1 hPa (20 °C) |
| 굴절률 | 1.4603 (estimate) |
| 인화점 | 152 °C |
| 저장 조건 | Store below +30°C. |
| 용해도 | 0.7g/L |
| 물리적 상태 | 펠릿 또는 플레이크 및/또는 분말 |
| pKa(산도 계수) | 14.89±0.10(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 불용성 |
| Merck | 14,2849 |
| BRN | 1698975 |
| 안정성 | 안정적인. 산화제, 산 염화물, 산 무수물, 클로로포르메이트, 환원제와 호환되지 않습니다. |
| 화장품 원료 기능 | 용제 |
| InChI | 1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2 |
| InChIKey | FOTKYAAJKYLFFN-UHFFFAOYSA-N |
| SMILES | OCCCCCCCCCCO |
| LogP(분배 계수) | 2.73 |
| NIST | 1,10-Decanediol(112-47-0) |
| EPA | 1,10-Decanediol (112-47-0) |
화학적 성질
white crystals or powder. Practically insoluble in water. Soluble in alcohol and oils. Very faint, sweet-musty odor. Bland taste.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 99.3% (148 of 149) of all reports.Not ClassifiedAggregated GHS information provided per 149 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,10-Decanediol1,10-Decanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,10-Decanediol 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: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/193341,10-Decanediol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 유해성 요약 | Intraperitoneal lethal-dose (mouse) > 500 mg/kg[RTECS] May cause irritation[Sigma-Aldrich MSDS] See 1-Decanol. |
| Hazard Classes and Categories | Not Classified |
| 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) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | HD8433713 |
| 독성 | LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rat > 2000 mg/kg |
| 관세 코드 | 29053980 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-09437 |
| 자연 발화 온도 | 320 °C DIN 51794 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
1,10-Decanediol is an minor intermediate in the production of polyesters. It also used in essence, perfumes and in pharmaceuticals. The diacrylate is hydrophobic and used for flexible dental materials, radiation curable coatings, and for lenses.
제조 및 합성 방법
제조 방법
1,10-Decanediol is produced from sebacic acid by a hydrogenation process analogous to that described for 1,6-hexanediol.