1-Ethyl-4-Methylbenzene

HCID 12160CAS 622-96-8

기본 정보

표준 SMILES
CCc1ccc(C)cc1
InChIKey
JRLPEMVDPFPYPJ-UHFFFAOYSA-N
분자식
C9H12
평균 분자량
120.19 g/mol
단동위원소 질량
120.09390038

이름 및 식별자

우선 이름
1-Ethyl-4-Methylbenzene
IUPAC
1-ethyl-4-methylbenzene
현지명
에틸톨루엔-4
영어명
4-Ethyltoluene
분자식
C9H12
분자량
120.19

이름 및 동의어

4-Ethyltoluene1-Ethyl-4-methylbenzene622-96-8P-ETHYLTOLUENEBenzene, 1-ethyl-4-methyl-p-MethylethylbenzeneToluene, p-ethyl-4-Methylethylbenzenep-Ethylmethylbenzene1-Methyl-4-ethylbenzeneDTXSID9029194G6JY83VLB5
이름 더 보기
4-에틸톨루엔에틸톨루엔-4p-ethyl-toluen
NSC-74177DTXCID409194RefChem:98927210-761-21-Ethyl-4-methyl-benzenepara-EthyltolueneMFCD00009263NSC 74177

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.6
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점
-62 °C · -62°C
끓는 점
162 °C · 162 °C(lit.)
밀도
0.861 g/mL · 0.861 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.495(lit.)
인화점
98 °F · 98 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 3건

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 · 1건

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%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

15 [mg/m3]

160 [mg/m3]

960 [mg/m3]

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) > 19,000 mg/m3/6hr

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XT2550000
ridadr
UN 3295 3/PG 3
독성
LD50 orally in Rabbit: 4850 mg/kg
HS 번호
29029090

화학 및 산업

용도 및 제조

U.S. Production2023: 19,412,300 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesFuel agents
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

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

응용 분야

용도4-Ethyltoluene is used as intermediates.

공급사50 곳

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]

관련 반응

25건

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