4-Methoxyphenethyl alcohol

HCID 69705CAS 702-23-8

기본 정보

표준 SMILES: COc1ccc(CCO)cc1
InChIKey: AUWDOZOUJWEPBA-UHFFFAOYSA-N
분자식: C9H12O2
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.08372962

개요

4-methoxybenzeneethanol has been reported in Nymphaea rudgeana, Amorphophallus albispathus, and other organisms with data available.

이름 및 식별자

우선 이름: 4-Methoxyphenethyl alcohol
IUPAC: 2-(4-methoxyphenyl)ethanol
영어명: 4-Methoxyphenethyl alcohol
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

2-(4-Methoxyphenyl)ethanol4-Methoxyphenethyl alcohol702-23-84-Methoxybenzeneethanolp-Methoxyphenethyl alcoholBenzeneethanol, 4-methoxy-4-methoxyphenethanol2-(p-Methoxyphenyl)ethanol2-(p-Anisyl)ethanolDTXSID50415182-(p-Methoxyphenyl)ethyl alcohol3MWL5NZE9K

이름 더 보기

2-(4-methoxyphenyl)ethan-1-olPMEPAKOS 909874-MethoxyphenethyLTyrosol methyl etherp-Methoxyphenylethanol

EINECS 211-866-61-methoxy-4-(2-hydroxyethyl)benzeneNSC 408325NSC-408325AI3-05522DTXCID3021518METHOXYBENZENEETHANOL, 4-PHENETHYL ALCOHOL, P-METHOXY-

데이터베이스 식별자

CAS: 702-23-8
PubChem CID: 69705
DTXSID: DTXSID5041518
ChEMBL: CHEMBL412890
UNII: 3MWL5NZE9K
EC Number: 211-866-6
Nikkaji: J45.894E

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 95.7

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 26 · 26-28 °C(lit.)
끓는 점: 334 · 334-336 °C(lit.)
밀도: 1.058 · 1.058±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.536 · 1.536-1.538
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO, 메탄올에 용해됩니다.
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 15 · 15.00±0.16(Predicted)
색상: 클리어 라이트 브라운
BRN: 2043563 · 2043563
LogP: 1.393 · 1.393 (est)
EPA: 4 · 4-Methoxybenzeneethanol (702-23-8)

화학적 성질

clear light brown liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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

Regulatory InformationChemical: Benzeneethanol, 4-methoxy-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29062990
safety_code: 24/25

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneethanol, 4-methoxy-: ACTIVE

응용 분야 · 2건

용도4-Methoxyphenethyl alcohol has a flavor and aroma of fresh citrus juice and may be used for perfumes, foods, and cosmetics.

일반 설명(R)-1-(4-methoxyphenyl)ethanol {(R)-MOPE, 4-Methoxyphenethyl alcohol, 1-(4-methoxyphenyl)ethanol } is formed during the biocatalytic anti-Prelog enantioselective reduction of 4-methoxyacetophenone (MOAP) using immobilized Trigonopsis variabilis AS2.