Basic information
- CAS
1334-82-3- Standard SMILES
CCCCCOC(=O)c1ccco1- InChIKey
BGJZMKPSRLHMME-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Overview
Amyl 2-furoate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Names & identifiers
- Preferred name
- Pentyl furoate
- IUPAC
- pentyl furan-2-carboxylate
- English name
- PENTYL-2-FUROICACID
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
Amyl 2-furoatepentyl furan-2-carboxylate1334-82-3Pentyl 2-furoatePentyl furoateFurancarboxylic acid, pentyl esterPentyl 2-furancarboxylate2-Furoic acid, pentyl esterAmyl furan-2-carboxylate2-Furancarboxylic acid, pentyl esterFEMA No. 2072Pentyl alpha-furoate
Show more names
PENTYL-2-FUROICACID2-furoic acid n-pentyl ester2-Furancarboxylic acid pentyl ester
854ADO0G8GEINECS 215-616-7BRN 0125957AMYL 2-FUROATE [FHFI]DTXSID3010157762-18-00-00266 (Beilstein Handbook Reference)RefChem:860084DTXCID5034147
Database identifiers
- CAS
1334-82-3、4996-48-9- PubChem CID
- 74008
- DTXSID
DTXSID301015776- ChEBI
CHEBI:172428- UNII
- 854ADO0G8G
- EC Number
- 215-616-7
- Nikkaji
- J49.604I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.031-1.038
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
miscible (in ethanol)
Boiling Point95-97 °C (1 mm Hg)
Refractive Index1.469-1.475
Physical DescriptionColourless to pale yellow liquid, sweet, caramellic, winey, somewhat herbaceous odour
Physicochemical properties
- Boiling point
- 275.62 °C · 275.62°C (rough estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Furancarboxylic acid, pentyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furancarboxylic acid, pentyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationFurancarboxylic acid, pentyl ester: ACTIVE
Applications
UsesPentyl 2-Furancarboxylate is used in the preparation of alkyl esters of α-furoic acid as flavors and scent for the food and cosmetics industry.
Suppliers2 total
上海问彩新材料科技有限公司15721586846 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Additional notes
DefinitionChEBI: Amyl 2-furoate 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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