Ethyl 2-furoate

HCID 11980CAS 1335-40-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1ccco1
InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N
분자식: C7H8O3
평균 분자량: 140.14 g/mol
단동위원소 질량: 140.04734412

개요

Ethyl furoate is a carboxylic ester. It is functionally related to a 2-furoic acid.

이름 및 식별자

우선 이름: Ethyl 2-furoate
IUPAC: ethyl furan-2-carboxylate
영어명: ETHYL 2-FUROATE
분자식: C7H8O3
분자량: 140.14

이름 및 동의어

ETHYL 2-FUROATEEthyl furan-2-carboxylate614-99-3Ethyl 2-furancarboxylateEthyl-2-furoateEthyl pyromucate2-Furancarboxylic acid, ethyl ester2-CarboethoxyfuranEthyl 2-furylcarboxylate2-(Ethoxycarbonyl)furanNSC 23042-Furoic Acid Ethyl Ester

이름 더 보기

ETHYL FUROATERARECHEM AL BI 0007ethyl α-furancarboxylateETHYL 2-FUROATE USP/EP/BPFurancarboxylic acid, ethyl ester2-FURANCARBOXYLIC ACID ETHYL ESTERFURAN-2-CARBOXYLIC ACID ETHYL ESTER

BRN 0002653EINECS 210-404-0AI3-23056S1H449R92TNSC-2304DTXSID00606402-FUROIC ACID ETHYL ESTER [MI]RefChem:594393

데이터베이스 식별자

CAS: 1335-40-6、614-99-3
PubChem CID: 11980
DTXSID: DTXSID0060640
ChEMBL: CHEMBL4634762
ChEBI: CHEBI:169174
UNII: S1H449R92T
EC Number: 210-404-0、215-631-9
Nikkaji: J7.026B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

LogP1.57

Density1.1174 @ 21°C

Flavoring AgentsEU Flavoring substances

Boiling Point196.8 °C @760 [mm Hg]

Melting Point34.5 °C

물리화학적 성질

녹는점: 32 · 32-37 °C(lit.)
끓는 점: 196 °C · 196 °C(lit.)
밀도: 1.117 g/mL · 1.117 g/mL at 25 °C(lit.)
인화점: 158 °F · 158 °F
저장 조건: 2 · 2-8°C
InChI: InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N
SMILES: C1(OC=CC=1)C(=O)OCC
LogP: 1.612 · 1.612 (est)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Furancarboxylic acid, ethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Furancarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.59 [mg/m3]

6.5 [mg/m3]

39 [mg/m3]

안전 데이터

wgk: 3
rtecs: LV1850000
risk_code: 11
hazard_code: F
safety_code: 16

화학 및 산업

용도 및 제조

General Manufacturing Information2-Furancarboxylic acid, ethyl ester: ACTIVE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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