1-Ethyl-2-Methylbenzene

HCID 11903CAS 25550-14-5

基本情報

標準SMILES
CCc1ccccc1C
InChIKey
HYFLWBNQFMXCPA-UHFFFAOYSA-N
分子式
C9H12
平均分子量
120.19 g/mol
単同位体質量
120.09390038

概要

Ethyl toluene appears as a colorless liquid with an aromatic hydrocarbon odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point 105 °F. Boiling point is 324 °F. Contact may irritate the skin, eyes, and mucous membranes. Used as a solvent.

名称と識別子

優先名称
1-Ethyl-2-Methylbenzene
IUPAC
1-ethyl-2-methylbenzene
英語名
2-Ethyltoluene
分子式
C9H12
分子量
120.19158

名称と別名

1-Ethyl-2-methylbenzene2-Ethyltoluene611-14-3O-ETHYLTOLUENEo-Methylethylbenzene1-Methyl-2-ethylbenzeneToluene, o-ethyl-ortho-EthyltolueneBenzene, 1-ethyl-2-methyl-1,2-methylethylbenzeneo-Ethyl methylbenzeneo-Ethyl methyl benzene
名称をさらに表示
Ethyltoluene2-ethyl tolueneEthyltoluene, o-2-Methyl-1-ethylbenzeneNSC 405731DTXSID2050403EINECS 210-255-1BRN 1851237

データベース識別子

CAS
25550-14-5、611-14-3
PubChem CID
11903
DTXSID
DTXSID2050403
ChEMBL
CHEMBL364233
ChEBI
CHEBI:34276
UNII
DBX00873SV
EC Number
210-255-1、247-093-6
Nikkaji
J43.559G

物性

構造計算による物性

XLogP
3.5
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
1
重原子数
9

実験および物理化学的性質

Chemical ClassesVolatile Organic Compound (VOC)
SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesBoiling point
LogP3.86
Density · 2 件

0.8807 at 68 °F (USCG, 1999) - Less dense than water; will float

0.88 @25 °C

Flash Point103 °F (USCG, 1999)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.5% (1 of 208) of reports.

Danger

H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P301+P316, P303+P361+P353, P305+P351+P338, P318, P331, P337+P317, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 208 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 22.4% (11 of 49) of reports.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzene, 1-ethyl-2-methyl-

Benzene, 1-ethyl-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-ethyl-2-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)

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

DOT LabelFlammable Liquid
Fire HazardsBehavior in Fire: Vapor is heavier than air and may travel a considerable distance to a source of ignition and flash back. (USCG, 1999)
Health Hazards · 1 件

Vapors irritate eyes and upper respiratory tract; cause dizziness, headache, anesthesia, respiratory arrest. Liquid irritates eyes and causes drying of skin. If aspirated, causes coughing, gagging, distress, amd rapidly developing pulmonary edema. If ingested causes vomiting, griping, diarrhea, depressed respiration. (USCG, 1999)

Hazards Summary · 1 件

An eye and upper respiratory tract irritant; May cause smarting of the skin if left on clothing; Inhalation may cause dizziness, anesthesia, and respiratory arrest; An aspiration hazard; Chronic effects of ingestion may include kidney and liver injury; [CHRIS] May cause irritation; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS]

Reactive GroupHydrocarbons, Aromatic

安全と保護具

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidINHALATION: Remove to fresh air, give artificial respiration and oxygen if needed; call a doctor.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC) · 3 件

36 [mg/m3]

400 [mg/m3]

2400 [mg/m3]

Personal Protective Equipment (PPE)Air-supplied mask; goggles or face shield; plastic gloves. (USCG, 1999)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 54,000 mg/m3/4hr
USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 件

1-Ethyl-2-Methylbenzene

Volatile Organic Compound (VOC)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

安全データ

注意喚起語
危険
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H226

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

UsesUsed as a solvent; [CAMEO]
U.S. Production2023: <75,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
Household ProductsInformation on 4 consumer products that contain Ethyltoluene in the following categories is provided:
General Manufacturing Information · 2 件

Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)

Benzene, 1-ethyl-2-methyl-: ACTIVE

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [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]

関連反応

15 件

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