Basic information
- CAS
81661-26-9- Standard SMILES
COC(=O)c1cc(C=O)oc1C- InChIKey
WINMHOHYPKKTEM-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225874
Names & identifiers
- Preferred name
- Methyl 5-formyl-2-methylfuran-3-carboxylate
- IUPAC
- methyl 5-formyl-2-methylfuran-3-carboxylate
- English name
- METHYL 5-FORMYL-2-METHYL-3-FUROATE
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
methyl 5-formyl-2-methylfuran-3-carboxylate81661-26-9DTXSID40381562RefChem:356087DTXCID70332587818-640-1methyl 5-formyl-2-methyl-3-furoateMFCD034073723-Furancarboxylicacid, 5-formyl-2-methyl-, methyl esterSCHEMBL1936673WINMHOHYPKKTEM-UHFFFAOYSA-NSBB088145
Show more names
AKOS001204511SB61084MS-22193SY167930CS-0254463methyl 5-formyl-2-methyl-3-furancarboxylateEN300-23891methyl 5-formyl-2-methyl-furan-3-carboxylate
Database identifiers
- CAS
81661-26-9- PubChem CID
- 2779820
- DTXSID
DTXSID40381562- EC Number
- 818-640-1
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- CAS DataBase Reference
- 81661 · 81661-26-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
2 records
Compound notes
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