2,5-Dimethoxytoluene (HCID 90552)

名称と識別子

優先名称: 2,5-Dimethoxytoluene
IUPAC: 1,4-dimethoxy-2-methylbenzene
現地名: 2,5-ジメトキシトルエン
英語名: 2,5-Dimethoxytoluene
分子式: C9H12O2
分子量: 152.19

名称と別名

2,5-Dimethoxytoluene1,4-Dimethoxy-2-methylbenzeneBenzene, 1,4-dimethoxy-2-methyl-Toluene, 2,5-dimethoxy-2-Methylhydroquinone dimethyl etherMethyl hydroquinone dimethyl esterQK260AXY6T2-methyl-1,4-dimethoxybenzeneEINECS 246-343-12-Methyl-1,4-bis(methyloxy)benzeneUNII-QK260AXY6TNSC 149950

名称をさらに表示

2,5-ジメトキシトルエン3-メチル-1,4-ジメトキシベンゼン1,4-ジメトキシ-2-メチルベンゼン2-メチル-1,4-ジメトキシベンゼン2,5-Dimethoxytoluene>2,5-Dimethoxytoluene,99%2,5-DIMETHOXYTOLUENE 99%2,5-Dimethoxytoluene, 98+%2,5-Dimethoxytoluene 98.5%2,5-Dimethoxytoluene, GC 99%

NSC-149950DTXSID5067005Methylhydroquinone, dimethyl ether1-METHYL-2,5-DIMETHOXYBENZENEMETHYLHYDROQUINONE DIMETHYL ETHERRefChem:82924DTXCID5037105246-343-1

データベース識別子

CAS: 24599-58-4
PubChem CID: 90552
DTXSID: DTXSID5067005
UNII: QK260AXY6T
EC Number: 246-343-1
Nikkaji: J32.091I

物性

構造計算による物性

XLogP: 2.7
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 114

物理化学的性質

融点: 19 · 19-21 °C
沸点: 218 · 218-220 °C/751 mmHg (lit.)
比重(密度): 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.522(lit.)
闪点: 215 °F · 215 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light yellow to Light orange
水溶解度: 実質的に不溶
InChI: 1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3
InChIKey: IQISOVKPFBLQIQ-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(C)c1
LogP: 2.636 · 2.636 (est)
CAS データベース: 24599 · 24599-58-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1,4-dimethoxy-2-methyl-(24599-58-4)
EPAの化学物質情報: 2 · 2,5-Dimethoxytoluene (24599-58-4)

化学的性質

化学的特性CLEAR LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Benzene, 1,4-dimethoxy-2-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29093090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,4-dimethoxy-2-methyl-: INACTIVE

応用分野 · 2 件

使用2,5-Dimethoxytoluene may be used as a reagent in the synthesis of 2,5-dimethoxy-4-methylbenzaldehyde-7-14C. Its IR spectrum has been used to establish the methyl group migration in the acid catalyzed rearrangement of 4-methoxy-4-methylcyclohexadienone.

一般的な説明2,5-Dimethoxytoluene (1,4-dimethoxy-2-methyl benzene) is a methoxy methyl benzene derivative. It has been synthesized from 2-methylhydroquinone. It is one of the volatile constituents identified from beechwood creosote and Tuber brumale species. It is reported to be one of the thermochemolysis products in Delaware bay particles and dissolved organic matters.