2,4-Dimethoxybenzyl alcohol

HCID 81750CAS 7314-44-5

기본 정보

표준 SMILES: COc1ccc(CO)c(OC)c1
InChIKey: RNKOUSCCPHSCFE-UHFFFAOYSA-N
분자식: C9H12O3
평균 분자량: 168.19 g/mol
단동위원소 질량: 168.07864424

이름 및 식별자

우선 이름: 2,4-Dimethoxybenzyl alcohol
IUPAC: (2,4-dimethoxyphenyl)methanol
영어명: 2,4-Dimethoxybenzyl alcohol
분자식: C9H12O3
분자량: 168.19

이름 및 동의어

2,4-Dimethoxybenzyl alcohol7314-44-5Benzenemethanol, 2,4-dimethoxy-5SV9LUD373DTXSID40223397RefChem:443698DTXCID40145888230-775-2(2,4-Dimethoxyphenyl)methanolMFCD000046142,4-dimethoxyphenylmethanol1-hydroxymethyl-2,4-dimethoxybenzene

이름 더 보기

2,4-DimethoxybenzylAI3-52354RARECHEM AL BD 00252,4-dimethoxybenzylol2,4-Dimethoxybenzyl Alcohol >Benzenemethanol, 2,4-dimethoxy-2,4-Dimethoxybenzyl alcohol 99%

2,4-Dimethoxybenzenemethanol2.4-Dimethoxybenzyl alcoholPB47629BENZYL ALCOHOL, 2,4-DIMETHOXY-(2,4-dimethoxyphenyl)methan-1-ol2,4-DimethoxybenzylalcoholASISCHEM V71844OTAVA-BB 1780299

데이터베이스 식별자

CAS: 7314-44-5
PubChem CID: 81750
DTXSID: DTXSID40223397
UNII: 5SV9LUD373
EC Number: 230-775-2
Nikkaji: J149.881I

물성

구조 계산 물성

XLogP: 1.5
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: 127

물리화학적 성질

녹는점: 38 · 38-40 °C(lit.)
끓는 점: 177 · 177-179 °C10 mm Hg(lit.)
밀도: 1.1322 · 1.1322 (rough estimate)
굴절률: 1.545 · 1.545-1.548
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.18 · 14.18±0.10(Predicted)
물리적 상태: 저융점 고체
색상: 무색~황백색
수용성: 알코올에 용해됩니다. 물에 불용성.
BRN: 2091660 · 2091660
InChI: 1S/C9H12O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChIKey: RNKOUSCCPHSCFE-UHFFFAOYSA-N
SMILES: COc1ccc(CO)c(OC)c1
LogP: 1.109 · 1.109 (est)
NIST: 2 · 2,4-Dimethoxybenzyl alcohol(7314-44-5)

화학적 성질

Colorless to light yellow liqui

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. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29062990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2, 4-Dimethoxybenzyl alcohol is used as a medical intermediate.

일반 설명2,4-Dimethoxybenzyl alcohol reacts with trifluoroacetic acid to yield calix[4]resorcinarene octamethyl ether, which on demethylation and acetylation yields the derived octa-acetate.