3,5-Dimethoxybenzyl alcohol (HCID 69718)

이름 및 식별자

우선 이름: 3,5-Dimethoxybenzyl alcohol
IUPAC: (3,5-dimethoxyphenyl)methanol
영어명: 3,5-Dimethoxybenzyl alcohol
분자식: C9H12O3
분자량: 168.19

이름 및 동의어

3,5-Dimethoxybenzyl alcohol705-76-03,5-DimethoxybenzenemethanolEINECS 211-888-6DTXSID80220769RefChem:486898DTXCID60143260211-888-6(3,5-Dimethoxyphenyl)methanol3,5-DimethoxybenzylalcoholBenzenemethanol, 3,5-dimethoxy-MFCD00004641

이름 더 보기

3,5-DimethoxybenzylRARECHEM AL BD 00653,5-DIMETHOXYBENZYL ALCOHOLE3,5-dimethoxybenzenemethylol3,5-DimethoxybenzylAlcohol>3,5-Dimethoxybenzyl alcohol 99%

AS039753,5-Dimethoxybenzenemethanol;3,5-Dimethoxy Benzyl Alcohol(3,5-dimethoxyphenyl)methan-1-ol3,5-dimethoxy-benzylalcohol3,5-Dimethoxy benzylalcoholTEY3289PFVSCHEMBL65276

데이터베이스 식별자

CAS: 705-76-0
PubChem CID: 69718
DTXSID: DTXSID80220769
UNII: TEY3289PFV
EC Number: 211-888-6
Nikkaji: J149.883E

물성

구조 계산 물성

XLogP: 1
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 115

물리화학적 성질

녹는점: 43 · 43-46 °C(lit.)
끓는 점: 183 · 183-186°C 20mm
밀도: 1.1322 · 1.1322 (rough estimate)
굴절률: 1.547 · 1.5470 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 14.24 · 14.24±0.10(Predicted)
색상: 흰색에서 황백색까지
BRN: 1866305 · 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: 1.102 · 1.102 (est)

화학적 성질

white to yellow-beige crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (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 exposure; Respiratory 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29094990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요3,5-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.

용도3,5-Dimethoxybenzyl Alcohol is used in the synthesis of Resveratrol (R150000).

일반 설명3,5-Dimethoxybenzyl alcohol is an important pharmaceutical intermediate.