Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2,4-Trimethyl-1-pentanol
2,2,4-Trimethylpentanol · 2,2,4-trimethyl-1-pentano · 2,2,4-TRIMETHYL-1-PENTANOL · 2,2,4-TRIMETHYLPENTAN-1-OL · 2,2,4-Trimethylpentane-1-ol · 1-Pentanol, 2,2,4-trimethyl-
식별자 및 물리적 특성
| CAS No. | 123-44-4 |
|---|---|
| 분자식 | C8H18O |
| 평균 분자량 | 130.23 g/mol |
| 단동위원소 질량 | 130.1357652 g/mol |
| SMILES | CC(C)CC(C)(C)CO |
| InChIKey | CWPPDTVYIJETDF-UHFFFAOYSA-N |
| PubChem CID | 31258 |
| EC No. | 204-628-8 |
| DTXSID | DTXSID6073158 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 74.6 |
| Solvents | Solvents -> Alcohols (<C12) |
| SpringerMaterials Properties | Boiling point |
| 증기압 | 0.49 [mmHg] |
| Physical Description | Liquid[Aldrich MSDS] |
| 녹는점 | -70°C |
| 끓는 점 | 165°C |
| 밀도 | 0.8340 |
| 굴절률 | 1.4280 |
| pKa(산도 계수) | 15.17±0.10(Predicted) |
| 헨리 상수 | 5.6×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997) |
| LogP(분배 계수) | 2.466 (est) |
| EPA | 1-Pentanol, 2,2,4-trimethyl- (123-44-4) |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 유해성 요약 | A moderate skin and eye irritantCauses somnolence in dermal lethal-dose studies of rabbitsCauses ptosis, somnolence, and ataxia in oral lethal-dose studies of rats[RTECS] An irritantMay cause allergic reactions in sensitive individualsHarmful by ingestion[Aldrich MSDS] See 1-Pentanol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 기존화학 물질 | KE-34644 |
용도
용도
2,2,4-Trimethyl-1-pentanol is an aliphatic alcohol producing a fruity odor and used in the food industry as an additive.