Methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate

HCID 54677706
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
78376-09-7
Standard SMILES
COC(=O)C1=C(O)COC1=O
InChIKey
GIWLDPURHIORDX-UHFFFAOYSA-N
Molecular formula
C6H6O5
Average molar mass
158.11 g/mol
Monoisotopic mass
158.02152329

Names & identifiers

Preferred name
Methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate
IUPAC
methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate

Names & synonyms

methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate78376-09-7RefChem:816457620-312-64-hydroxy-2-oxo-2,5-dihydro-furan-3-carboxylic acid methyl esterSCHEMBL230467GIWLDPURHIORDX-UHFFFAOYSA-GIWLDPURHIORDX-UHFFFAOYSA-NAKOS024341038NS000409654-(methoxycarbonyl)-5-oxo-2,5-dihydrofuran-3-olmethyl4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate
Show more names
methyl 4-hydroxy-2-oxo-2,5-dihydro-3-furancarboxylateInChI=1/C6H6O5/c1-10-5(8)4-3(7)2-11-6(4)9/h7H,2H2,1H3

Database identifiers

CAS
78376-09-7
PubChem CID
54677706
EC Number
620-312-6
Nikkaji
J1.855.736C

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
11

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Related reactions

3 records
New reaction record

Compound notes

Loading…