Durene

HCID 7269CAS 95-93-2

基本情報

標準SMILES
Cc1cc(C)c(C)cc1C
InChIKey
SQNZJJAZBFDUTD-UHFFFAOYSA-N
分子式
C10H14
平均分子量
134.22 g/mol
単同位体質量
134.10955045

概要

1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)

名称と識別子

優先名称
Durene
IUPAC
1,2,4,5-tetramethylbenzene
現地名
1,2,4,5-テトラメチルベンゼン
英語名
1,2,4,5-Tetramethylbenzene
分子式
C10H14
分子量
134.22

名称と別名

1,2,4,5-TETRAMETHYLBENZENEDurene95-93-2DurolBenzene, 1,2,4,5-tetramethyl-p-Xylene, 2,5-dimethyl-DTXSID1029124181426CFYBNSC-6770DTXCID309124CHEBI:38978RefChem:590468
名称をさらに表示
1,2,4,5-テトラメチルベンゼンデュレンズレンジュロールジュレンズロール1,2,4,5テトラメチルベンゼン1,2,4,5-TETRAMETHYLBENZENE (DURENE)1,2,4,5-TetramethyL1,2,4,5-TERAMETHYLBENZENEbenzene,1,2,4,5-tetramethyl-Durol[R]1.2.4.5-TetraMThymol Impurity?401,2,4,5-Tetramethylb
202-465-7MFCD000085281,2,4,5-tetramethyl-benzeneCAS-95-93-2NSC 6770EINECS 202-465-7DurenUNII-181426CFYB

データベース識別子

CAS
95-93-2
PubChem CID
7269
DTXSID
DTXSID1029124
ChEMBL
CHEMBL1797134
ChEBI
CHEBI:38978
UNII
181426CFYB
EC Number
202-465-7
Nikkaji
J4.714G

物性

構造計算による物性

XLogP
4
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
10

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density · 2 件

0.8875 at 68 °F (NTP, 1992) - Less dense than water; will float

0.838 @ 81°C

Flash Point · 2 件

130 °F (NFPA, 2010)

74 °C

Boiling Point · 2 件

386.2 °F at 760 mmHg (NTP, 1992)

196 °C @760 [mm Hg]

Melting Point174.6 °F (NTP, 1992)

物理化学的性質

融点
78 °C · 78 °C
沸点
196 · 196-197 °C
比重(密度)
0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
蒸気密度
4.6 · 4.6 (vs air)
蒸気圧
160 mm · 160 mm Hg ( 140 °C)
屈折率
1.5093 · 1.5093

化学的性質

化学的特性white to brown semi-transparent crystals

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 8.1% (24 of 298) of reports.

Danger

H228 (89.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P273, P280, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 298 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzene, 1,2,4,5-tetramethyl-

Benzene, 1,2,4,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Solid
Fire HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1 件

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,4,5-TETRAMETHYLBENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

安全と保護具

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
Protective Action Criteria (PAC) · 3 件

21 [mg/m3]

230 [mg/m3]

1400 [mg/m3]

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

安全データ

wgk
1
tsca
TSCA listed
rtecs
DC0500000
ridadr
UN 1325 4.1/PG 2
毒性
LD50 orally in Rabbit: 6700 mg/kg
hs_code
29029080

化学と産業

用途と製造

UsesOccurs in coal tar; [Merck Index]
General Manufacturing InformationBenzene, 1,2,4,5-tetramethyl-: ACTIVE
応用分野 · 3 件

解説1,2,4,5-tetramethylbenzene.C10H14(134.22).ジュレン,石炭タール中,または石油改質油中に少量含まれるが,キシレンやプソイドクメンをフリーデル-クラフツ反応によってメチル化して合成できる.ショウノウ臭のある白色の結晶.融点 80℃,沸点 191~193℃の昇華性固体。d8140.84.λmax 214,269,272,287 nm(log ε 3.99,2.79,2.75,2.82).昇華性がある.エタノール,エーテルなどに可溶.酸化すれば条件によって種々の生成物が得られる.クロム酸または硝酸酸化では2,4,5-トリメチル安息香酸が,気相接触酸化ではピロメリト酸,またはその無水物が,過酸化物酸化ではテトラメチルベンゾキノンが生成する.森北出版「化学辞典(第2版)

使用1,2,4,5-Tetramethylbenzene is used in method for reducing odor in room in remodeling work by removing causative substances.

一般的な説明Colorless crystals with a camphor-like odor.

調製方法 · 1 件

純化方法Chromatograph durene on alumina, and recrystallise it from aqueous EtOH or *benzene. Zone-refining removes duroaldehydes. Dry it under vacuum. [Yamauchi et al. J Phys Chem 89 4804 1985.] It has also been sublimed in vacuo [Johnston et al. J Am Chem Soc 109 1291 1987]. [Beilstein 5 H 431, 5 I 207, 5 II 329, 5 III 979, 5 IV 1076.]

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関連反応

16 件

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