Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Methylbenzyl alcohol
o-Tolylmethanol · O-TOLYLCARBINOL · 2-Tolylmethanol · 2-TOLYL CARBINOL · α-Hydroxy-o-xylene · RARECHEM AL BD 0047 · ALPHA-HYDROXY-O-XYLENE · 2-METHYLBENZYL ALCOHOL
식별자 및 물리적 특성
| CAS No. | 89-95-2 |
|---|---|
| 분자식 | C8H10O |
| 평균 분자량 | 122.16 g/mol |
| 단동위원소 질량 | 122.07316494 g/mol |
| SMILES | Cc1ccccc1CO |
| InChIKey | XPNGNIFUDRPBFJ-UHFFFAOYSA-N |
| PubChem CID | 6994 |
| ChEBI | CHEBI:27724 |
| EC No. | 201-954-2 |
| DTXSID | DTXSID8059001 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 80.6 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 1.58 |
| Physical Description | White solidmp = 33-37 deg C[Alfa Aesar MSDS] |
| 녹는점 | 33-36 °C(lit.) |
| 끓는 점 | 109-110 °C14 mm Hg(lit.) |
| 밀도 | 1.0230 |
| 증기압 | 0.75 mm Hg ( 86 °C) |
| 굴절률 | n20/D 1.5408(lit.) |
| 인화점 | 220 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 메탄올: 0.1 g/mL, 투명 |
| pKa(산도 계수) | 14.37±0.10(Predicted) |
| 물리적 상태 | powder to lump |
| 색상 | 흰색에서 거의 흰색 |
| BRN | 1929783 |
| 헨리 상수 | 2.2×101 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| InChI | 1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3 |
| InChIKey | XPNGNIFUDRPBFJ-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1CO |
| LogP(분배 계수) | 1.620 |
| NIST | Benzenemethanol, 2-methyl-(89-95-2) |
| EPA | 2-Methylbenzyl alcohol (89-95-2) |
화학적 성질
white crystalline low melting solid
안전 및 규제
| GHS 분류 | DangerH302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenemethanol, 2-methyl-Benzenemethanol, 2-methyl-: 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 environment |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See Benzyl alcohol. |
| Hazard Classes and Categories | Acute Tox. 4 (90.5%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29339990 |
| 위험 문구(R) | 36/37/38-41-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 22-24/25-37/39-26-39 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Methylbenzyl alcohol is widely used strong mobile phase additive in HPLC. it can be used to produce 2-methyl-benzaldehyde at temperature of 20°C. It will need reagent pyridinium chlorochromate with reaction time of 10 min.