Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-HEXYLDECAN-1-OL (2-핵실데칸-1-올)
2-HEXYLDECAN-1-OL (2-핵실데칸-1-올) · 2-헥실데칸-1-올 · 헥실데칸올 · 2-헥실-1-데칸올 · 1-Decanol, 2-hexyl- · 2-Hexyl-decan-1-ol · Isofol 16 · 2-hexyl-1-decano
식별자 및 물리적 특성
| CAS No. | 2425-77-6 |
|---|---|
| 분자식 | C16H34O |
| 평균 분자량 | 242.44 g/mol |
| 단동위원소 질량 | 242.26096571 g/mol |
| SMILES | CCCCCCCCC(CO)CCCCCC |
| InChIKey | XULHFMYCBKQGEE-UHFFFAOYSA-N |
| PubChem CID | 95337 |
| ChEMBL | CHEMBL3560208 |
| ChEBI | CHEBI:183266 |
| EC No. | 219-370-1 |
| DTXSID | DTXSID1041265 |
| 현지명 | 2-HEXYLDECAN-1-OL (2-핵실데칸-1-올) |
화학 및 물리적 성질
| XLogP | 7 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 133 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| 화장품 | Skin conditioningHumectantSolvent |
| 향료 | Fragrance Ingredient (1-_Decanol, 2-_hexyl-) -> IFRA transparency List |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | LiquidColorless oily liquid with a mild sweet odor[Sasol MSDS] |
| 녹는점 | -21--15 °C (lit.) |
| 끓는 점 | 193-197 °C/33 mmHg (lit.) |
| 밀도 | 0.836 g/mL at 25 °C (lit.) |
| 증기압 | 0.4Pa at 148.85℃ |
| 굴절률 | n20/D 1.449(lit.) |
| 인화점 | 113 °C |
| 저장 조건 | Refrigerator |
| 용해도 | 벤젠(난용성), 클로로포름(난용성), 메탄올 (약간 용해됨) |
| pKa(산도 계수) | 15.08±0.10(Predicted) |
| 물리적 상태 | 기름 |
| 색상 | 투명 무색 |
| 화장품 원료 기능 | 피부 컨디셔닝피부 컨디셔닝 - 보습제 |
| InChI | 1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3 |
| InChIKey | XULHFMYCBKQGEE-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC(CO)CCCCCC |
| LogP(분배 계수) | 6.66 at 20℃ |
| NIST | 1-Decanol, 2-hexyl-(2425-77-6) |
| EPA | 1-Decanol, 2-hexyl- (2425-77-6) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 99.4% (351 of 353) of all reports.Not ClassifiedAggregated GHS information provided per 353 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1-Decanol, 2-hexyl-1-Decanol, 2-hexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanol, 2-hexyl- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 08-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/55851-Decanol, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An eye, nose, and throat irritantInhalation may cause dizziness and headache[Sasol MSDS] |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | nwg |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2905.19.9090 |
| 기존화학 물질 | KE-19912 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2-Hexyl-1-decanol may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME).
일반 설명
2-Hexyl-1-decanol is a branched alcohol. It is one of the constituent of the essential oil, extracted from the roots of Adiantum flabellulatum. It is a long-chain glass forming monohydroxy alcohol and its dielectric relaxation at low temperature has been studied.