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HCID 78089생성일: 2026년 10월 26일

3-히드록시-4-메톡시벤질 알콜

3-히드록시-4-메톡시벤질알콜 · 5-(Hydroxymethyl)-2-methoxyphenol · RARECHEM AL BD 0068 · ISOVANILLYL ALCOHOL · 3-Hydroxy-4-methoxyb · IsovanillylAlcohol>2-methoxy-5-methylol-phenol · 2-methyl-1-phenylprop-2-en-1-ol · 3-HYDROXY-4-METHOXYBENZYL ALCOHOL

https://huagongshe.com/ko/chemical/78089

3-히드록시-4-메톡시벤질 알콜 분자 구조식

식별자 및 물리적 특성

CAS No.4383-06-6
분자식C8H10O3
평균 분자량154.16 g/mol
단동위원소 질량154.06299418 g/mol
SMILESCOc1ccc(CO)cc1O
InChIKeyWHKRHBLAJFYZKF-UHFFFAOYSA-N
PubChem CID78089
ChEMBLCHEMBL1738713
EC No.224-489-7
DTXSIDDTXSID40195949
현지명3-히드록시-4-메톡시벤질 알콜

화학 및 물리적 성질

XLogP0.7
극성 표면적49.7
수소 결합 공여자 수2
수소 결합 수용자 수3
회전 가능 결합 수2
무거운 원자 수11
형식 전하0
복잡도116
Kovats Retention Index1477.9
녹는점135-137 °C (lit.)
끓는 점315.8±27.0 °C(Predicted)
밀도1.226±0.06 g/cm3(Predicted)
저장 조건Inert atmosphere,Room Temperature
용해도메탄올에 용해됨
물리적 상태powder to crystal
pKa(산도 계수)9.75±0.10(Predicted)
색상흰색에서 거의 흰색
BRN1867860
InChI1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
InChIKeyWHKRHBLAJFYZKF-UHFFFAOYSA-N
SMILESCOc1ccc(CO)cc1O
NIST3-Hydroxy-4-methoxybenzyl alcohol(4383-06-6)

화학적 성질

White crystalline

안전 및 규제

GHS 분류WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (85.7%): 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)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보Benzenemethanol, 3-hydroxy-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (85.7%)
수질 위해 등급(WGK)3
관세 코드29094990
위험 문구(R)36/37/38
위험 표시Xi
안전 문구(S)22-24/25-36-26
저장 분류11 - Combustible Solids

용도

용도

3-Hydroxy-4-methoxybenzyl alcohol was used in preparation of 2-hydroxymethyl-5-methoxy-2,5-cyclohexadiene-1,4-dione by oxidation with Fremy′s salt.

3-Hydroxy-4-methoxybenzyl alcohol｜Huagongshe