Basic information
- CAS
583-33-5- Standard SMILES
CCCCOC(=O)c1ccco1- InChIKey
PAMQYEWNNPDBLM-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- Butyl 2-furoate
- IUPAC
- butyl furan-2-carboxylate
- English name
- Butyl2-furoate
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
Butyl 2-furoateButyl furoatebutyl furan-2-carboxylate583-33-52-Furancarboxylic acid, butyl ester2-Furoic acid, butyl esterButyl 2-furancarboxylate2-FUROIC ACID, n-BUTYL ESTERNSC 5602BRN 0117938AI3-00646UNII-1F9715415C
Show more names
Butyl2-furoateN-BUTYL2-FUROATEbutylpyrane-2-carbonateBUTYL2-FURANCARBOXYLATEfuran-2-carboxylic acid butyl ester
NSC-5602BUTYL .ALPHA.-FUROATE1F9715415CDTXSID302070254-18-00-03918 (Beilstein Handbook Reference)2-Furancarboxylic acid, butyl ester (9CI)RefChem:122206BUTYL ALPHA-FUROATE
Database identifiers
- CAS
583-33-5- PubChem CID
- 11409
- DTXSID
DTXSID30207025- UNII
- 1F9715415C
- EC Number
- 611-643-7
- Nikkaji
- J21.617H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 233 °C · 233°C (estimate)
- Density
- 1.0555 · 1.0555
- refractive index
- 1.474 · 1.4740 (estimate)
- FLAVIS Number
- 13.102 · 13.102 | Butyl 2-furoate
- Odor
- 100 % · at 100.00%. like salicylic acid ester of butyl alcohol
- LogP
- 2.631 · 2.631 (est)
- FDA UNII
- 1 F9715415C · 1F9715415C
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
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furancarboxylic acid, butyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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