Basic information
- CAS
20279-53-2- Standard SMILES
CC(C)COC(=O)c1ccco1- InChIKey
HREPSLLONKRVKD-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 2-Methylpropyl 2-furancarboxylate
- IUPAC
- 2-methylpropyl furan-2-carboxylate
- English name
- iso-butyl2-furoate
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
20279-53-22-methylpropyl furan-2-carboxylate2-Methylpropyl 2-furancarboxylateDTXSID601300207RefChem:476201DTXCID401730331882-028-02-Furancarboxylic acid, 2-methylpropyl esterIso-butyl 2-furoateisobutyl furan-2-carboxylateIsobutyl 2-furoate #SCHEMBL11327740
Show more names
iso-butyl2-furoate
HREPSLLONKRVKD-UHFFFAOYSA-NAKOS006243088furan-2-carboxylic acid isobutyl esterDB-230554G19472EN300-25390319
Database identifiers
- CAS
20279-53-2- PubChem CID
- 565211
- DTXSID
DTXSID601300207- EC Number
- 882-028-0
- Nikkaji
- J561.409K
Properties
Computed structural properties
- XLogP
- 2.5
- 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
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 222 °C · 222°C (estimate)
- Density
- 1.0388 · 1.0388
- refractive index
- 1.4676 · 1.4676 (estimate)
- LogP
- 2.475 · 2.475 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…