2-에틸-6-메틸페놀

2-Ethyl-6-methylphenol

HCID 519333CAS 1687-64-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1cccc(C)c1O
InChIKey: CIRRFAQIWQFQSS-UHFFFAOYSA-N
분자식: C9H12O
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.088815

개요

6-Ethyl-o-cresol is a hydroxytoluene.

이름 및 식별자

우선 이름: 2-Ethyl-6-methylphenol
IUPAC: 2-ethyl-6-methylphenol
현지명: 2-에틸-6-메틸페놀
영어명: 2-Ethyl-6-methylphenol
분자식: C9H12O
분자량: 136.19

이름 및 동의어

2-Ethyl-6-methylphenolPhenol, 2-ethyl-6-methyl-6-Ethyl-o-cresolo-Cresol, 6-ethyl-359WUC62RIUNII-359WUC62RIDTXSID80168596RefChem:86925DTXCID8091087681-418-6CIRRFAQIWQFQSS-UHFFFAOYSA-N1687-64-5

이름 더 보기

2-에틸-6-메틸페놀BUTTPARK 121\08-232-Methyl-6-ethylphenol6-Methyl-2-ethylphenol2-ethyl-6-methylbenzenephenol3-Ethyl-2-hydroxytoluene, 6-Ethyl-o-cresol

MFCD009622922-ethyl-6-methyl-phenol6-ethyl-2-methylphenol2-ethyl-6-methyl phenolCHEBI:196448AKOS022181433HY-W089538E1185

데이터베이스 식별자

CAS: 1687-64-5
PubChem CID: 519333
DTXSID: DTXSID80168596
ChEBI: CHEBI:196448
UNII: 359WUC62RI
EC Number: 681-418-6
Nikkaji: J284.007C

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 101

물리화학적 성질

녹는점: 48.26 °C · 48.26°C (estimate)
끓는 점: 96 · 96-98°C/15mm
밀도: 0.9809 · 0.9809 (estimate)
굴절률: 1.531 · 1.5310
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 10.62 · 10.62±0.10(Predicted)
색상: 밝은 노란색에서 갈색까지
Henry's Law Constant: 3.3 · 3.3×100 mol/(m3Pa) at 25℃, Wang et al. (2017)
LogP: 2.93 · 2.930 (est)

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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.