Basic information
- CAS
50626-02-3- Standard SMILES
CCOC(=O)c1ccoc1-c1ccccc1- InChIKey
VMAQXZDICAYJMS-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Overview
Ethyl 2-phenyl-3-furancarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Names & identifiers
- Preferred name
- Ethyl 2-phenyl-3-furoate
- IUPAC
- ethyl 2-phenylfuran-3-carboxylate
- English name
- 2-Phenyl-3-carbethoxyfuran
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
2-Phenyl-3-carbethoxyfuran50626-02-3ethyl 2-phenylfuran-3-carboxylateEthyl 2-phenyl-3-furoateEthyl 2-phenyl-3-furancarboxylateFEMA No. 34683-Furancarboxylic acid, 2-phenyl-, ethyl ester2JCY5NG0OREINECS 256-663-3PHENYL OXAROMATE 681DTXSID60685632-PHENYL-3-CARBETHOXYFURAN [FHFI]
Show more names
PHENYL OXAROMATE2-Phenyl-3-furancarboxylic acid ethyl ester
RefChem:594513DTXCID6040876256-663-3UNII-2JCY5NG0ORSCHEMBL3504414FEMA 3468ethyl 2-phenyluran-3-carboxylateCHEBI:174095
Database identifiers
- CAS
50626-02-3- PubChem CID
- 62007
- DTXSID
DTXSID6068563- ChEBI
CHEBI:174095- UNII
- 2JCY5NG0OR
- EC Number
- 256-663-3
- Nikkaji
- J261.564I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.120-1.132
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
(in ethanol)
Boiling Point
331.00 to 332.00 °C. @ 760.00 mm Hg
148-154 °C (6 mm Hg)
Refractive Index1.515-1.527
Physicochemical properties
- FEMA
- 3468 · 3468 | 2-PHENYL-3-CARBETHOXY FURAN
- FLAVIS Number
- 13.038 · 13.038 | 2-Phenyl-3-carbethoxyfuran
- Odor
- 100 % · at 100.00 %. cherry fruity
- Odor Type
- fruity
- JECFA Number
- 752 · 752
- LogP
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Furancarboxylic acid, 2-phenyl-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Furancarboxylic acid, 2-phenyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3-Furancarboxylic acid, 2-phenyl-, ethyl ester: ACTIVE
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Additional notes
DefinitionChEBI: Ethyl 2-phenyl-3-furancarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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