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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 68.1
실험 및 물리화학적 성질
Physical Description
Liquid
Liquid; [EPA ChAMP: Hazard Characterization: p-Ethyltoluene - 2009] Colorless liquid; [Alfa Aesar MSDS]
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.
- 용해도
- 94.9 mg/l · 94.9mg/l(실험적)
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 폭발한계
- 1.2 · 1.2-7%(V)
- Odor Threshold
- 0.0083 ppm · 0.0083ppm
- 수용성
- 물에 불용성.
- 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
- EPA
- p-Ethyltoluene (622-96-8)
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
GHS 분류
GHS Classification
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
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
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.
안전 및 보호
Protective Action Criteria (PAC)
15 [mg/m3]
160 [mg/m3]
960 [mg/m3]
독성 정보
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
- risk_code
- 10-65
- hazard_code
- Xn
- safety_code
- 23-24/25-62
- 포장분류
- III
- 위험 등급
- 3
- 자연 발화 온도
- 887 °F
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1-ethyl-4-methyl-: ACTIVE
응용 분야
용도4-Ethyltoluene is used as intermediates.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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