메톡시벤질알콜
2-메톡시벤질알코올 · 메톡시벤질알콜 · 2-메톡시벤질 알코올 · (2-Methoxyphenyl)methanol · (2-methoxy-phenyl)-methanol · o-Anisalcohol · 2-ANISE ALCOHOL · O-ANISE ALCOHOL
식별자 및 물리적 특성
| CAS No. | 1331-81-3 |
|---|---|
| 분자식 | C8H10O2 |
| 평균 분자량 | 138.16 g/mol |
| 단동위원소 질량 | 138.06807956 g/mol |
| SMILES | COc1ccccc1CO |
| InChIKey | WYLYBQSHRJMURN-UHFFFAOYSA-N |
| PubChem CID | 69154 |
| EC No. | 210-296-5 |
| DTXSID | DTXSID4060606 |
| 현지명 | 메톡시벤질알콜 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 29.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 93.3 |
| 물질 분류 | Other Classes -> Other Aromatic Compounds |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| 향료 | Fragrance Ingredient (Anisyl alcohol (o-,m-,p-)) -> IFRA transparency List |
| LogP(분배 계수) | 1.13 |
| 증기압 | 0.00429 [mmHg]0.572Pa at 25℃ |
| Physical Description | Clear orange to light orange-brown liquid[Acros Organics MSDS] |
| 녹는점 | 85-86 °C |
| 끓는 점 | 248-250 °C(lit.) |
| 밀도 | 1.039 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.547(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 14.43±0.10(Predicted) |
| 색상 | 투명한 무색~연한 주황색-갈색 |
| 냄새 | 아니스 냄새 |
| 용해도 | 물에 섞이거나 혼합하기 어렵지 않습니다. 에탄올에 용해됩니다. |
| BRN | 2043673 |
| InChI | 1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3 |
| InChIKey | WYLYBQSHRJMURN-UHFFFAOYSA-N |
| SMILES | COc1ccccc1CO |
| LogP(분배 계수) | 1.13 |
| NIST | 2-Methoxybenzyl alcohol(612-16-8) |
| EPA | Benzenemethanol, 2-methoxy- (612-16-8) |
화학적 성질
Colorless to light yellow liquid.
안전 및 규제
| GHS 분류 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 127 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: Benzenemethanol, 2-methoxy-Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21644Benzenemethanol, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritantHarmful by ingestion[Acros Organics MSDS] See 2,5-Dimethoxybenzyl alcohol. See Benzyl alcohol. See 1,3-Dimethoxybenzene and Anisole. |
| Hazard Classes and Categories | Acute Tox. 4 (98.3%)Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29094990 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 23-24/25-37/39-26-36 |
| F 고인화성물질 | 9-23 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.
제조 및 합성 방법
제조 방법
Synthesis of 2-Methoxybenzyl Alcohol: Under an inert nitrogen (N₂) atmosphere, after dehydration and deoxygenation, 2-methoxybenzoic acid (76.2 mg, 0.5 mmol) was added to the reaction flask, followed by the addition of liquid borane (290 μL, 2 mmol). The reaction was carried out at room temperature for 12 hours. After completion, the mixture was removed from the glovebox, and trimethoxybenzene (84.23 mg, 0.5 mmol) was added as an internal standard. The mixture was dissolved in CDCl₃, stirred for 10 minutes, and then sampled for nuclear magnetic resonance (NMR) analysis. The yield was calculated to be 99%.