에틸3-옥소-3-(푸란-3-일)프로파노에이트

Ethyl 3-(furan-3-yl)-3-oxopropanoate

HCID 336409

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 36878-91-8
표준 SMILES: CCOC(=O)CC(=O)c1ccoc1
InChIKey: OVPIQFGJQAQWAJ-UHFFFAOYSA-N
분자식: C9H10O4
평균 분자량: 182.17 g/mol
단동위원소 질량: 182.0579088

이름 및 식별자

우선 이름: Ethyl 3-(furan-3-yl)-3-oxopropanoate
IUPAC: ethyl 3-(furan-3-yl)-3-oxopropanoate
현지명: 에틸3-옥소-3-(푸란-3-일)프로파노에이트
영어명: Ethyl 3-oxo-3-(furan-3-yl)propanoate
분자식: C9H10O4
분자량: 182.17

이름 및 동의어

ethyl 3-(furan-3-yl)-3-oxopropanoateDTXSID00319785RefChem:594750DTXCID00270908842-893-736878-91-8ethyl 3-oxo-3-(furan-3-yl)propanoateMFCD00011566ethyl 3-(3-furyl)-3-oxopropanoateethyl 3-oxo-3-(3-furyl)propionateEthyl beta-oxo-3-furanpropionateNSC350548

이름 더 보기

에틸3-옥소-3-(푸란-3-일)프로파노에이트ETHYL-3-FUROYL-ACETATEethyl β-oxo-3-furanpropionateEthyl β-oxo-3-furanpropionateEthyl 3-(3-furyl)-3-oxopropionate2-[3-furanyl(oxo)methyl]butanoateEthyl beta-oxo-3-furanpropionate,97%

ethyl 3-(3-furyl)-3-oxo-propanoateethyl 3-oxo-3-(furan-3-yl)propionateCHEMBL413269SCHEMBL1642808OVPIQFGJQAQWAJ-UHFFFAOYSA-NAKOS009157086ethyl 3-(3-furanyl)-3-oxopropionateEthyl 3-(fur-3-yl)-3-oxopropanoate

데이터베이스 식별자

CAS: 36878-91-8
PubChem CID: 336409
DTXSID: DTXSID00319785
ChEMBL: CHEMBL413269
EC Number: 842-893-7
Nikkaji: J364.692K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 56.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 200

물리화학적 성질

끓는 점: 113 · 113-116 °C/4 mmHg (lit.)
밀도: 1.153 g/mL · 1.153 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.489(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
InChI: 1S/C9H10O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6H,2,5H2,1H3
InChIKey: OVPIQFGJQAQWAJ-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)c1ccoc1

화학적 성질

Clear colorless to orange liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.