Furfuryl isobutyrate
Basic information
- CAS
6270-55-9- Standard SMILES
CC(C)C(=O)OCc1ccco1- InChIKey
SZWUNATWHPNXKD-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- Furfuryl isobutyrate
- IUPAC
- furan-2-ylmethyl 2-methylpropanoate
- English name
- furfuryl isobutyrate
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
Furfuryl isobutyrate6270-55-9Furfuryl 2-methylpropionateEINECS 228-453-1Propanoic acid, 2-methyl-, 2-furanylmethyl esterDTXSID40211779NSC 35557RefChem:141801DTXCID20134270228-453-1furan-2-ylmethyl 2-methylpropanoateNSC-35557
Show more names
isobutyric acid furfuryl ester2-Methylpropionic acid 2-furanylmethyl ester
(furan-2-yl)methyl 2-methylpropanoateUV8YED9SAXFuran-2-ylmethyl isobutyrateFurfuryl alcohol, isobutyrateIsobutyric acid, furfuryl esterSCHEMBL2266382NSC35557AKOS006242783
Database identifiers
- CAS
6270-55-9- PubChem CID
- 80454
- DTXSID
DTXSID40211779- UNII
- UV8YED9SAX
- EC Number
- 228-453-1
- Nikkaji
- J211.506I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 237.12 °C · 237.12°C (rough estimate)
- Density
- 1.0313 · 1.0313
- refractive index
- 1.4371 · 1.4371 (estimate)
- FLAVIS Number
- 13.133 · 13.133 | Furfuryl isobutyrate
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fruity coffee
- Odor Type
- fruity
- LogP
- 1.966 · 1.966 (est)
- FDA UNII
- 8 YED9SAX · UV8YED9SAX
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: Propanoic acid, 2-methyl-, 2-furanylmethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propanoic acid, 2-methyl-, 2-furanylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
1 records
Compound notes
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