3-메톡시페네틸알코올

3-메톡시페네틸알코올 · 3-METHOXYBENZENETHICL · m-Methoxyphenylethanol · 3-Methoxybenzeneethanol · 2-(meta-anisyl) ethanol · 3-(2-Hydroxyethyl)anisole · m-Methoxyphenethyl alcohol · 2-(3-METHOXYPHENYL)ETHANOL

https://huagongshe.com/ko/chemical/78724

식별자 및 물리적 특성

CAS No.	5020-41-7
분자식	C9H12O2
평균 분자량	152.19 g/mol
단동위원소 질량	152.08372962 g/mol
SMILES	COc1cccc(CCO)c1
InChIKey	UPPGEJSCUZMCMW-UHFFFAOYSA-N
PubChem CID	78724
ChEBI	CHEBI:194894
EC No.	225-705-2
DTXSID	DTXSID90198243
현지명	3-메톡시페네틸알코올

화학 및 물리적 성질

XLogP	1.9
극성 표면적	29.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	11
형식 전하	0
복잡도	104
SpringerMaterials Properties	Optical coefficient
끓는 점	141-143 °C12 mm Hg(lit.)
밀도	1.075 g/mL at 25 °C(lit.)
굴절률	n20/D 1.538(lit.)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름에 용해됨
pKa(산도 계수)	14.89±0.10(Predicted)
물리적 상태	액체
색상	무색~담황색 투명
BRN	1863114
InChI	1S/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3
InChIKey	UPPGEJSCUZMCMW-UHFFFAOYSA-N
SMILES	COc1cccc(CCO)c1
LogP(분배 계수)	1.555 (est)

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): 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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (50%)
수질 위해 등급(WGK)	3
관세 코드	29094990
안전 문구(S)	24/25
저장 분류	10 - Combustible liquids

용도

3-Methoxyphenethyl alcohol was used as starting reagent during the synthesis of 3-methoxy-2,6-dimethyl- phenethyl alcohol.