기본 정보
- CAS
620-14-4- 표준 SMILES
CCc1cccc(C)c1- InChIKey
ZLCSFXXPPANWQY-UHFFFAOYSA-N- 분자식
- C9H12
- 평균 분자량
- 120.19 g/mol
- 단동위원소 질량
- 120.09390038
개요
3-ethyltoluene is a derivative of toluene bearing an additional ethyl substituent at position 3.
이름 및 식별자
- 우선 이름
- 3-Ethyltoluene
- IUPAC
- 1-ethyl-3-methylbenzene
- 현지명
- 에틸톨루엔-3
- 영어명
- 3-Ethyltoluene
- 분자식
- C9H12
- 분자량
- 120.19
이름 및 동의어
3-Ethyltoluene620-14-41-Ethyl-3-methylbenzeneM-ETHYLTOLUENE1-Methyl-3-ethylbenzenem-Ethylmethylbenzenem-MethylethylbenzeneToluene, m-ethyl-DTXSID6050386737PTD7O7EETHYLTOLUENE, M-NSC-74176
이름 더 보기
m-에틸톨루엔3-에틸톨루엔에틸톨루엔-33-에틸톨루엔(3-ETHYLTOLUENE)benzene,1-ethyl-3-methyl-meta-Ethyltoluene3-Ethyltoluene>3-Ethyltoluene 99%
DTXCID807876CHEBI:77512RefChem:93875210-626-8Benzene, 1-ethyl-3-methyl-1-Ethyl-3-methyl-benzene3-Methylethylbenzene3-ethyl-1-methylbenzene
데이터베이스 식별자
- CAS
620-14-4- PubChem CID
- 12100
- DTXSID
DTXSID6050386- ChEMBL
CHEMBL31274- ChEBI
CHEBI:77512- UNII
- 737PTD7O7E
- EC Number
- 210-626-8
- Nikkaji
- J43.560K
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
- 76.1
실험 및 물리화학적 성질
SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesBoiling point
LogP3.98
Vapor Pressure3.04 [mmHg]
Physical Description
Liquid
Colorless liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -96 °C · -96°C
- 끓는 점
- 158 · 158-159 °C(lit.)
- 밀도
- 0.865 g/mL · 0.865 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.496(lit.)
- 인화점
- 101 °F · 101 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- Odor Threshold
- 0.018 ppm · 0.018ppm
- 수용성
- 물에 섞이거나 혼합하기 어렵지 않습니다.
- BRN
- 1850821 · 1850821
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (1 of 83) of reports.
Danger
H226 (98.8%): 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 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzene, 1-ethyl-3-methyl-
Benzene, 1-ethyl-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-ethyl-3-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)
3-Ethyltoluene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses other changes of the liver and kidney in 100-day intermittent inhalation studies of rabbits and rats; [RTECS] May cause irritation; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (98.8%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 54,000 mg/m3/4hr
안전 데이터
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesSolvent
General Manufacturing InformationPaint and Coating Manufacturing
응용 분야
용도It is used in the formation of 3-ethylsalicylic acid from 3-Ethyltoluene by Pseudomonas ovalis.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…