1-Ethyl-4-Methylbenzene (HCID 12160)

名称と識別子

優先名称: 1-Ethyl-4-Methylbenzene
IUPAC: 1-ethyl-4-methylbenzene
現地名: 4-エチルトルエン
英語名: 4-Ethyltoluene
分子式: C9H12
分子量: 120.19

名称と別名

4-Ethyltoluene1-Ethyl-4-methylbenzene622-96-8P-ETHYLTOLUENEBenzene, 1-ethyl-4-methyl-p-MethylethylbenzeneToluene, p-ethyl-4-Methylethylbenzenep-Ethylmethylbenzene1-Methyl-4-ethylbenzeneDTXSID9029194G6JY83VLB5

名称をさらに表示

4-エチルトルエン2-(p-トリル)エタン4-メチルフェニルエタン4-メチル-1-エチルベンゼン1-メチル-4-エチルベンゼンp-メチルエチルベンゼンp-エチルトルエン4-エチル-1-メチルベンゼン1-エチル-4-メチルベンゼン4-エチルトルエン(p-〃)4-メチルエチルベンゼン1-エチル-4-メチルベンゼン (4-ETHYLT4-エチルトルエンLTOLUENE), IN CYCLOHEXANE (1000ΜG/ML)4-エチルトルエン, 97%p-ethyl-toluen

NSC-74177DTXCID409194RefChem:98927210-761-21-Ethyl-4-methyl-benzenepara-EthyltolueneMFCD00009263NSC 74177

データベース識別子

CAS: 622-96-8
PubChem CID: 12160
DTXSID: DTXSID9029194
ChEMBL: CHEMBL195384
UNII: G6JY83VLB5
EC Number: 210-761-2
Nikkaji: J2.585.381D、J43.561I

物性

構造計算による物性

XLogP: 3.6
極性表面積: 0 Å²
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: 1
重原子数: 9
形式電荷: 0
複雑度: 68.1

実験および物理化学的性質

SolventsSolvents -> Aromatic Solvents

SpringerMaterials PropertiesBoiling point

Density.86 @ 20°C

Boiling Point162.2 °C @760 [mm Hg]

Melting Point-62.4 °C

Vapor Pressure3.0 [mmHg]

物理化学的性質

融点: -62 °C · -62°C
沸点: 162 °C · 162 °C(lit.)
比重(密度): 0.861 g/mL · 0.861 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.495(lit.)
闪点: 98 °F · 98 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 94.9 mg/l · 94.9mg/l (実験的)
外見: clear liquid
色: Colorless to Almost colorless
爆発限界(explosive limit): 1.2 · 1.2-7%(V)
臭気閾値(Odor Threshold): 0.0083 ppm · 0.0083ppm
水溶解度: 水に不溶。
BRN: 1903007 · 1903007
Henry's Law Constant: 2 · 2.0×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981)
Dielectric constant: 2.24 · 2.2400000000000002
InChI: 1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N
SMILES: CCc1ccc(C)cc1
CAS データベース: 622 · 622-96-8(CAS DataBase Reference)
EPAの化学物質情報: p-Ethyltoluene (622-96-8)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.3% (6 of 256) of reports.

Danger

H226 (91.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 256 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzene, 1-ethyl-4-methyl-

Benzene, 1-ethyl-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-ethyl-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

4-Ethyltoluene: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A skin and eye irritant in rabbits; Effects on mortality and clinical chemistry (increased ALT, alkaline phosphatase, and albumin), observed in 13-week oral studies of rats at 300 mg/kg/day; Male reproductive system effects (testicular atrophy and decreased spermatogenesis observed at 900 mg/kg; A 13-week inhalation study of rats demonstrated significant changes in liver and gonad weights at 4,800 mg/m3/day; [EPA ChAMP: Hazard Characterization: p-Ethyltoluene - 2009] May cause irritation; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 1-Ethyl-2-methylbenzene.

Hazard Classes and CategoriesFlam. Liq. 3 (91.4%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

15 [mg/m3]

160 [mg/m3]

960 [mg/m3]

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLC50 (rat) > 19,000 mg/m3/6hr

安全データ

wgk: 3
tsca: TSCA listed
rtecs: XT2550000
ridadr: UN 3295 3/PG 3
毒性: LD50 orally in Rabbit: 4850 mg/kg
hs_code: 29029090
risk_code: 10-65
化審法: (3)-15
消防法: 危-4-2-III
hazard_code: Xn
safety_code: 23-24/25-62
hazard_class: 3
packing_group: III
自然発火温度: 887 °F
Hazard Classifications: Asp. Tox. 1Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

U.S. Production2023: 19,412,300 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesFuel agents

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Benzene, 1-ethyl-4-methyl-: ACTIVE

応用分野 · 3 件

用途3種類あるエチルトルエンの構造異性体の一つであり、いずれも無色の液体で、ポリスチレンの製造に使用される。

用途機器分析等の標準。

使用4-Ethyltoluene is used as intermediates.

上流・下流製品情報

上流原料

1-メチル-3,5-ジエチルベンゼンブロモエタントルエン

下流製品

2-エチル-5-メチルフェノール 1-(4-(ブロモメチル)フェニル)エタノン 3-エチルトルエン

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

1-Ethyl-4-Methylbenzene

基本情報