1-(3-메톡시-페닐)-에탄올

(+-)-1-(3-Methoxyphenyl)ethanol

HCID 90902CAS 23308-82-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(C(C)O)c1
InChIKey: ZUBPFBWAXNCEOG-UHFFFAOYSA-N
분자식: C9H12O2
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.08372962

이름 및 식별자

우선 이름: (+-)-1-(3-Methoxyphenyl)ethanol
IUPAC: 1-(3-methoxyphenyl)ethanol
현지명: 1-(3-메톡시-페닐)-에탄올
영어명: 1-(3-METHOXY-PHENYL)-ETHANOL
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

23308-82-9RefChem:1049019(+-)-1-(3-Methoxyphenyl)ethanol1-(3-Methoxyphenyl)ethanol1-(3-Methoxyphenyl)Ethan-1-Ol3-Methoxy-alpha-methylbenzyl alcoholMFCD000218669EQ14QXI2P1-(3-Methoxyphenyl)-ethanolBenzenemethanol, 3-methoxy-alpha-methyl-NSC-143364(+/-)-3-methoxy-alpha-methylbenzyl alcohol

이름 더 보기

1-(3-메톡시-페닐)-에탄올NSC 143364Rivastigmine EP Imp GRivastigMine IMpurity G(3-Methoxyphenyl)ethanolalpha-(3-Methoxyphenyl)ethanolalpha-(m-Methoxyphenyl)ethanol

1-(3-Methoxy-phenyl)-ethanolUNII-9EQ14QXI2PRivastigmine EP Impurity GEINECS 245-575-0NSC1433643-Methoxy-alpha-methylbenzyl alcohol, (+/-)-3-MethoxyphenylmethylcarbinolSCHEMBL43735

데이터베이스 식별자

CAS: 23308-82-9
PubChem CID: 90902
DTXSID: DTXSID901025820
ChEMBL: CHEMBL4587689
UNII: 9EQ14QXI2P
EC Number: 245-575-0
Nikkaji: J228.926A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 114

물리화학적 성질

끓는 점: 234.66 °C · 234.66°C (rough estimate)
밀도: 1.0781 · 1.0781
굴절률: 1.5325 · 1.5325 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름 (약간 용해됨), 에틸아세테이트 (약간 용해됨), 메탄올(난용성)
물리적 상태: 기름
산도 계수 (pKa): 14.49 · 14.49±0.20(Predicted)
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

안전 데이터

HS 번호: 2909498090
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

응용 분야 · 1건

용도1-(3-Methoxyphenyl)ethanol (Rivastigmine EP Impurity G) is a versatile reactant used in the preparation of 2,3-dihydroimidazo[1,2-a]pyridines as enantioselective acyl transfer catalysts in kinetic resolution of alcohols. Also used in chemoselective preparation of aryl aldehydes/ketones via in situ generated TEMPO-copper(II) diimine catalyzed oxidation of benzylic alcohols in aqueous media.