Basic information
- CAS
858249-96-4- Standard SMILES
CCOCc1ccc(C(=O)O)o1- InChIKey
WIVYCKXKKLJCNZ-UHFFFAOYSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- 5-(ethoxymethyl)furan-2-carboxylic Acid
- IUPAC
- 5-(ethoxymethyl)furan-2-carboxylic acid
- English name
- 5-(ethoxymethyl)furan-2-carboxylic acid
- Molecular formula
- C8H10O4
- Molecular weight
- 170.16
Names & synonyms
5-(ethoxymethyl)furan-2-carboxylic Acid858249-96-45-(ethoxymethyl)-2-furoic acidSCHEMBL15964156SBB042782AKOS0001182055-(ethoxymethyl)furan-2-carboxylicAcidDS-016915CS-0241829EN300-23897F1981-0074Z166631686
Show more names
5-(Ethoxymethyl)-2-furancarboxylic acid2-Furancarboxylic acid, 5-(ethoxymethyl)-
Database identifiers
- CAS
858249-96-4- PubChem CID
- 4682007
- EC Number
- 164-329-2
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 62 °C · 62 °C
- Boiling point
- 279.4 · 279.4±30.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.10(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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