4-톨릴에테르

Benzene, 1,1'-oxybis[4-methyl-

HCID 74098CAS 1579-40-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(Oc2ccc(C)cc2)cc1
InChIKey: YWYHGNUFMPSTTR-UHFFFAOYSA-N
분자식: C14H14O
평균 분자량: 198.26 g/mol
단동위원소 질량: 198.10446507

이름 및 식별자

우선 이름: Benzene, 1,1'-oxybis[4-methyl-
IUPAC: 1-methyl-4-(4-methylphenoxy)benzene
현지명: 4-톨릴에테르
영어명: 4-Tolyl ether
분자식: C14H14O
분자량: 198.26

이름 및 동의어

1579-40-4p-Tolyl etherBenzene, 1,1'-oxybis[4-methyl-1,1'-Oxybis(4-methylbenzene)Benzene, 1,1'-oxybis(4-methyl-EINECS 216-423-01,1'-Oxybis[4-methylbenzene]DTXSID2061800Benzene, 1,1'-oxybis*4-methyl-p-Tolyl ether (6CI,7CI,8CI)RefChem:117280DTXCID1035078

이름 더 보기

4-톨릴에테르DITOLYL ETHERDi-p-tolyl ehterdi-4-Tolyl etherDi-p-tolylEther>Bis-(4-tolyl)-ether

InChI=1/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2HYWYHGNUFMPSTTR-UHFFFAOYSA-NDi-p-tolyl ether4-Tolyl ether4,4'-Oxybis(methylbenzene)4,4'-Dimethyldiphenyl etherBis(4-methylphenyl) ether1-Methyl-4-(4-methylphenoxy)benzene

데이터베이스 식별자

CAS: 1579-40-4、28299-41-4
PubChem CID: 74098
DTXSID: DTXSID2061800
UNII: EJS2TP859V
EC Number: 216-423-0、248-948-6
Nikkaji: J102.218K

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 154

물리화학적 성질

녹는점: 47 · 47-49 °C (lit.)
끓는 점: 285 °C · 285 °C (lit.)
밀도: 1.0074 · 1.0074 (rough estimate)
굴절률: 1.5948 · 1.5948 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 아세톤, 벤젠, 에테르에 용해됩니다.
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey: YWYHGNUFMPSTTR-UHFFFAOYSA-N
SMILES: O(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
NIST: 1 · 1-Methyl-4-(4-methylphenoxy)benzene(1579-40-4)
EPA: p-Tolyl ether (1579-40-4)

화학적 성질

Di-p-tolyl ether is a white or colorless flaky or leafy crystals. Almost insoluble in water, soluble in alcohol, miscible with most perfume oils. Mild, green-rosy, somewhat woody odor of great tenacity.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 47.4% (37 of 78) of reports.

Warning

H315 (52.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 57.1% (24 of 42) of all reports.

유해성 정보

Regulatory InformationStatus: Active Update: 23-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10988

Hazard Classes and Categories · 2건

Acute Tox. 4 (31%)

Skin Irrit. 2 (52.6%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: DA6625000
ridadr: UN 3077 9/PG 3
HS 번호: 29093090
risk_code: 36/37/38-50/53
hazard_code: Xi,N
safety_code: 26-36-61
위험 등급: 9

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,1'-oxybis[4-methyl-: INACTIVE

응용 분야

용도Di-p-tolyl ether is used to form conformationally chiral molecules in the solid state, while the chirality of 1,3-dimethyl-2-phenoxybenzene arises from the formation of supramolecular helices.