3-Ethoxycyclopent-2-en-1-one

HCID 89777CAS 22627-70-9

기본 정보

표준 SMILES: CCOC1=CC(=O)CC1
InChIKey: SUQNVCCJLBQVEI-UHFFFAOYSA-N
분자식: C7H10O2
평균 분자량: 126.15 g/mol
단동위원소 질량: 126.06807956

이름 및 식별자

우선 이름: 3-Ethoxycyclopent-2-en-1-one
IUPAC: 3-ethoxycyclopent-2-en-1-one
영어명: 3-Ethoxy-2-cyclopenten-1-one
분자식: C7H10O2
분자량: 126.15

이름 및 동의어

3-Ethoxycyclopent-2-en-1-one22627-70-93-ethoxy-2-cyclopenten-1-oneEINECS 245-138-4DTXSID00177165RefChem:501213DTXCID5099656245-138-43-Ethoxy-2-cyclopentenone3-ethoxycyclopent-2-enone2-Cyclopenten-1-one, 3-ethoxy-MFCD00042963

이름 더 보기

3-Ethoxy Cyclopent-Exone

3-ethoxy-2-cyclopenten-1-on3-Ethoxy-2-cyclopenten-1-one; 1-Ethoxy-1-cyclopenten-3-one; 3-Ethoxy-2-cyclopentenone; 3-Ethoxycyclopent-2-en-1-one3-ethoxycyclopentenone3-ethoxy cyclopentenone3-Ethoxy-cyclopent-2-enoneSCHEMBL10218593-Ethoxy-2-cyclopentenone 98%3-Ethoxy-2-cyclopentenone, 98%

데이터베이스 식별자

CAS: 22627-70-9
PubChem CID: 89777
DTXSID: DTXSID00177165
EC Number: 245-138-4
Nikkaji: J286.265D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 147

물리화학적 성질

끓는 점: 60 · 60-63 °C/0.3 mmHg (lit.)
밀도: 1.062 g/mL · 1.062 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.492(lit.)
인화점: 230 °F · >230 °F
저장 조건: Refrigerator
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태: 기름
색상: 맑은 연한 노란색
BRN: 2041482 · 2041482
InChI: 1S/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3
InChIKey: SUQNVCCJLBQVEI-UHFFFAOYSA-N
SMILES: CCOC1=CC(=O)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도3-Ethoxy-2-cyclopentenone (3-Ethoxy-2-cyclopenten-1-one) may be used as a starting material in the synthesis of the following:allylic cyclopentenyl alcohols like 2-cyclopentenol, 3-methyl-2-cyclopentenol and 3-methoxymethaoxymethyl-2-cyclopentenol3-aminocyclopent-2-en-1-one(E)-5-(((2S*,3S*)-3-((benzyloxy)methyl)oxiran-2- yl)methylene)-3-ethoxycyclopent-2-enone, an γ,δ -epoxy-α,β-unsaturated cyclic enone

일반 설명3-Ethoxy-2-cyclopentenone (3-Ethoxy-2-cyclopenten-1-one, 3-Ethoxycyclopentenone) is a cyclic β-alkoxy α,β-unsaturated ketone. Its manganese(III) acetate based tandem oxidation has been investigated. Its various physical properties such as density, refractive index and boiling point have been reported.