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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 20949생성일: 2026년 10월 25일

2-Isopropoxyphenol

propoxurphenol · 2-Isopropoxyph · o-Isopropoxyphenol · 2-ISOPROPOXYPHENOL · Thymol Impurity?38 · Phenol, 2-isopropoxy · 2-Isopropyloxyphenol · 2-Isopropoxyphenol-d7

https://huagongshe.com/ko/chemical/20949

2-Isopropoxyphenol 분자 구조식

식별자 및 물리적 특성

CAS No.28801-34-5
분자식C9H12O2
평균 분자량152.19 g/mol
단동위원소 질량152.08372962 g/mol
SMILESCC(C)Oc1ccccc1O
InChIKeyZNCUUYCDKVNVJH-UHFFFAOYSA-N
PubChem CID20949
ChEMBLCHEMBL3182286
ChEBICHEBI:38547
EC No.225-379-1
DTXSIDDTXSID5041431

화학 및 물리적 성질

XLogP2.1
극성 표면적29.5
수소 결합 공여자 수1
수소 결합 수용자 수2
회전 가능 결합 수2
무거운 원자 수11
형식 전하0
복잡도112
LogP(분배 계수)2.09
끓는 점100 - 102 °C100-102 °C/11 mmHg (lit.)
Physical DescriptionSolid
밀도1.03 g/mL at 25 °C (lit.)
굴절률n20/D 1.514(lit.)
인화점190 °F
저장 조건Inert atmosphere,Room Temperature
용해도클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태액체
pKa(산도 계수)9.99±0.35(Predicted)
색상투명하고 밝은 노란색에서 밝은 적갈색까지
용해도물에 용해됩니다.
BRN1937063
InChI1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
InChIKeyZNCUUYCDKVNVJH-UHFFFAOYSA-N
SMILESCC(C)Oc1ccccc1O
NIST2-Isopropoxyphenol(4812-20-8)
EPA2-Isopropoxyphenol (4812-20-8)

화학적 성질

clear light yellow to light red-brown liquid

안전 및 규제

GHS 분류WarningH315 (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)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보Chemical: Phenol, 2-(1-methylethoxy)-Hazard Traits - Hazard Trait Undefined
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
관세 코드29095090
위험 문구(R)36/37/38
위험 표시Xi
안전 문구(S)26-36/37/39-37/39-36
위험 등급Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류10 - Combustible liquids

용도

개요

2-Isopropoxyphenol is prepared by monoetherification of catechol with isopropyl halides in the presence of alkali-metal salts and either a phase transfer catalyst or a polyhydroxyalkyl monoether in an autoclave. This compound is the starting material for the synthesis of the pesticide Propoxur (2-isopropoxyphenyl methylcarbamate).

용도

2-Isopropoxyphenol was used as a target chemical in developing a method to measure the urinary phenolic metabolites of pesticides.

일반 설명

2-Isopropoxyphenol is a metabolite of propoxur.