CAS 1579-40-4 Benzene, 1,1'-oxybis[4-methyl- (HCID 74098)

名称と識別子

優先名称: Benzene, 1,1'-oxybis[4-methyl-
IUPAC: 1-methyl-4-(4-methylphenoxy)benzene
現地名: ジ-p-トリルエーテル
英語名: 4-Tolyl ether
分子式: C14H14O
分子量: 198.26

名称と別名

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

名称をさらに表示

ジ-p-トリルエーテル4,4'-オキシビストルエン1,1'-オキシビス(4-メチルベンゼン)4,4'-ジメチルジフェニルエーテルビス(4-メチルフェニル)エーテル4、4'-ジメチルジフェニルエ-テルジ-p-トリルエーテル, 99%1,1′-オキシビス(4-メチルベンゼン)4,4′-ジメチルジフェニルエーテルジ(p-トリル)エーテル4,4′-オキシビストルエン1-メチル-4-(4-メチルフェノキシ)ベンゼンDITOLYL 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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.2
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 154

物理化学的性質

融点: 47 · 47-49 °C (lit.)
沸点: 285 °C · 285 °C (lit.)
比重(密度): 1.0074 · 1.0074 (rough estimate)
屈折率: 1.5948 · 1.5948 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: アセトン、ベンゼン、エーテルに可溶。
外見: 個体
色: ペールイエロー
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
CAS データベース: 1579 · 1579-40-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Methyl-4-(4-methylphenoxy)benzene(1579-40-4)
EPAの化学物質情報: p-Tolyl ether (1579-40-4)

化学的性質

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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

Hazard Classes and Categories · 2 件

Acute Tox. 4 (31%)

Skin Irrit. 2 (52.6%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: DA6625000
ridadr: UN 3077 9/PG 3
hs_code: 29093090
risk_code: 36/37/38-50/53
化審法: (3)-653
hazard_code: Xi,N
safety_code: 26-36-61
hazard_class: 9

化学と産業

用途と製造

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

応用分野

使用Di-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.