1-메틸사이클로펜텐

1-Methylcyclopentene

HCID 12746CAS 27476-50-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=CCCC1
InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
분자식: C6H10
평균 분자량: 82.14 g/mol
단동위원소 질량: 82.07825032

개요

1-methylcyclopentene has been reported in Cinnamomum camphora and Oryza sativa with data available.

이름 및 식별자

우선 이름: 1-Methylcyclopentene
IUPAC: 1-methylcyclopentene
현지명: 1-메틸사이클로펜텐
영어명: 1-Methylcyclopentene
분자식: C6H10
분자량: 82.14

이름 및 동의어

1-METHYLCYCLOPENTENE693-89-01-Methyl-1-cyclopenteneCyclopentene, 1-methyl-V03M1DZC9IEINECS 211-762-0NSC 64657NSC-64657RefChem:434590Cyclopentene, 1-methyl-(8CI)Cyclopentene, 1-methyl-(8CI)(9CI)211-762-0

이름 더 보기

1-메틸-1-사이클로펜텐1-메틸-1-시틀로펜텐1-메틸사이클로펜텐메틸-1-시클로펜텐1-Methyl-1-cyclopentanecyclopentene,1-methyl-METHYL-CYCLOPENTENECyc1opentene,l-methyl-1-Cyclopentene, 1-methyl1-Methylcyclopentene,96%

InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H1-methylcyclopent-1-eneCyclopentene, methyl-MethylcyclopenteneUNII-V03M1DZC9I27476-50-2MFCD000013971-methylcyclopentene-1

데이터베이스 식별자

CAS: 27476-50-2、693-89-0
PubChem CID: 12746
DTXSID: DTXSID50870755
UNII: V03M1DZC9I
EC Number: 211-762-0
Nikkaji: J22.894J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 70.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: -142 °C · -142°C
끓는 점: 75 · 75-77 °C(lit.)
밀도: 0.78 g/mL · 0.78 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.432
인화점: 1 °F · 1 °F
저장 조건: Flammables area
물리적 상태: 액체
색상: 무색의
BRN: 1900640 · 1900640
Henry's Law Constant: 2.4 · 2.4×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI: InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
SMILES: C1(C)CCCC=1
LogP: 2.806 · 2.806 (est)
NIST: 1 · Cyclopentene, 1-methyl-(693-89-0)
EPA: 1 · Cyclopentene, 1-methyl- (693-89-0)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 3295 3/PG 2
HS 번호: 29021990
risk_code: 11-65
hazard_code: F,Xn
safety_code: 16-62-7
포장분류: II
위험 등급: 3
기존화학 물질: KE-23727
F 고인화성물질: 10-23
Hazard Classifications: Asp. Tox. 1Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도1-Methylcyclopentene can be used as:A probe molecule in the synthesis of alkenyl carbenium ions via adsorption on zeolite Y.A model olefin compound in the kinetic study of hydrogenation of olefins using various catalytic systems.A reactant to synthesize 1,2,3-trisubstitutedbenzocyclopentenes by reacting with β-disulfonyl iodonium ylides.