4-Methylphenethyl alcohol
2-(P-TOLYL)ETHANOL · 4-Methylbenzeneethanol · tridecyl sulfate · 4-Methylphenethanol · 2-(p-Tolyl)ethanol>P-Methylphenylethanol · 4-methyl-benzeneethano · 4-methyl-Benzeneethanol · 2-(p-Methylphenyl)ethanol
식별자 및 물리적 특성
| CAS No. | 699-02-5 |
|---|---|
| 분자식 | C9H12O |
| 평균 분자량 | 136.19 g/mol |
| 단동위원소 질량 | 136.088815 g/mol |
| SMILES | Cc1ccc(CCO)cc1 |
| InChIKey | DAVFJRVIVZOKKS-UHFFFAOYSA-N |
| PubChem CID | 95294 |
| EC No. | 211-824-7 |
| DTXSID | DTXSID6061020 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 82.7 |
| 향료 | Fragrance Ingredient (2-p-Tolylethanol) -> IFRA transparency List |
| 끓는 점 | 244-245 °C(lit.) |
| 밀도 | 0.978 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.526(lit.) |
| 인화점 | 225 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 14.92±0.10(Predicted) |
| 비중 | 0.978 |
| 색상 | Colorless to Light yellow to Light orange |
| 냄새 | 100.00%에서. 꽃 발사믹 로즈 그린 |
| 향취 유형 | 꽃향기 |
| 화장품 원료 기능 | 향수 |
| InChI | InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3 |
| InChIKey | DAVFJRVIVZOKKS-UHFFFAOYSA-N |
| SMILES | C1(CCO)=CC=C(C)C=C1 |
| LogP(분배 계수) | 2.032 (est) |
| EPA | Benzeneethanol, 4-methyl- (699-02-5) |
화학적 성질
Colorless to faintly Light yellow to Light orange clear liquid.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Benzeneethanol, 4-methyl- |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29062990 |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
2-(4-Methylphenyl)ethanol, also known as 4-Methylphenethyl alcohol, 2-(p-Tolyl)ethanol, is an oily liquid that can promote bile secretion and protect the liver. It is capable of transporting fat from the liver to the extrahepatic fat pool via the bloodstream and has demonstrated a significant inhibitory effect on liver cell destruction caused by alcoholism.
용도
4-Methylphenethyl alcohol was used in the determination of adducts of 1,2- and 1,4-benzoquinone with cysteine residues of hemoglobin and albumin.
제조 및 합성 방법
제조 방법
To prepare 2-(4-Methylphenyl)ethanol, start with 4'-Methylacetophenone as the raw material. Reduce it to 4-methyl-α-phenylethanol using sodium borohydride in ethanol. Mix nicotinic acid with phosphorus oxychloride in pyridine to create nicotinyl chloride. Without separation, add the nicotinyl chloride to the 4-methyl-α-phenylethanol and esterify it into 2-(4-Methylphenyl)ethanol.