3,5-Dimethoxybenzyl alcohol
(3,5-DIMETHOXYPHENYL)METHANOL · 3,5-Dimethoxybenzyl · RARECHEM AL BD 0065 · 3,5-DIMETHOXYBENZYL ALCOHOL · 3,5-DIMETHOXYBENZYL ALCOHOLE · 3,5-Dimethoxybenzenemethanol · 3,5-dimethoxybenzenemethylol · 3,5-DimethoxybenzylAlcohol>3,5-Dimethoxybenzyl alcohol 99%
식별자 및 물리적 특성
| CAS No. | 705-76-0 |
|---|---|
| 분자식 | C9H12O3 |
| 평균 분자량 | 168.19 g/mol |
| 단동위원소 질량 | 168.07864424 g/mol |
| SMILES | COc1cc(CO)cc(OC)c1 |
| InChIKey | AUDBREYGQOXIFT-UHFFFAOYSA-N |
| PubChem CID | 69718 |
| EC No. | 211-888-6 |
| DTXSID | DTXSID80220769 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 38.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 115 |
| 녹는점 | 43-46 °C(lit.) |
| 끓는 점 | 183-186°C 20mm |
| 밀도 | 1.1322 (rough estimate) |
| 굴절률 | 1.5470 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 14.24±0.10(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| BRN | 1866305 |
| InChI | InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3 |
| InChIKey | AUDBREYGQOXIFT-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC(OC)=CC(OC)=C1 |
| LogP(분배 계수) | 1.102 (est) |
화학적 성질
white to yellow-beige crystalline solid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29094990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-36/37-26 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
3,5-Dimethoxybenzyl alcohol (L1 OH) is an important pharmaceutical intermediate and also the starting material for the family of dendritic polymers LnOH (the integer n indicates the number of ‘branching’ layers). 3,5-Dimethoxybenzyl alcohol can be used as an organic synthesis raw material to prepare compounds such as 3,5-Dimethoxybenzonitrile, 3-hydroxy-5-methoxybenzaldehyde, and 5,7-Dimethoxyindan-1-one.
용도
3,5-Dimethoxybenzyl Alcohol is used in the synthesis of Resveratrol (R150000).
일반 설명
3,5-Dimethoxybenzyl alcohol is an important pharmaceutical intermediate.