Ethyl 2-furoate

HCID 11980
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Basic information

CAS
1335-40-6
Standard SMILES
CCOC(=O)c1ccco1
InChIKey
NHXSTXWKZVAVOQ-UHFFFAOYSA-N
Molecular formula
C7H8O3
Average molar mass
140.14 g/mol
Monoisotopic mass
140.04734412

Overview

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

Names & identifiers

Preferred name
Ethyl 2-furoate
IUPAC
ethyl furan-2-carboxylate
English name
ETHYL 2-FUROATE
Molecular formula
C7H8O3
Molecular weight
140.14

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
LogP1.57
Density1.1174 @ 21°C
Flavoring AgentsEU Flavoring substances
Boiling Point196.8 °C @760 [mm Hg]
Melting Point34.5 °C

Physicochemical properties

Melting point
32 · 32-37 °C(lit.)
Boiling point
196 °C · 196 °C(lit.)
Density
1.117 g/mL · 1.117 g/mL at 25 °C(lit.)
Flash point
158 °F · 158 °F
storage temp.
2 · 2-8°C
InChI
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 3 items

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Safety & protection

Protective Action Criteria (PAC) · 3 items

0.59 [mg/m3]

6.5 [mg/m3]

39 [mg/m3]

Safety data

wgk
3
rtecs
LV1850000
risk_code
11
hazard_code
F
safety_code
16

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Furancarboxylic acid, ethyl ester: ACTIVE

Suppliers100 total

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]

Additional notes

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

Related reactions

27 records
New reaction record

Compound notes

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