Basic information
- CAS
15341-69-2- Standard SMILES
COC(=O)c1cc(CO)oc1C- InChIKey
PPVYLXZWWRLONV-UHFFFAOYSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- Methyl 5-(hydroxymethyl)-2-methyl-3-furoate
- IUPAC
- methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
- English name
- 5-HYDROXYMETHYL-2-METHYL-FURAN-3-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C8H10O4
- Molecular weight
- 170.16
Names & synonyms
15341-69-2methyl 5-(hydroxymethyl)-2-methyl-3-furoateDTXSID10429309RefChem:355949DTXCID10380143methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate5-Hydroxymethyl-2-methyl-furan-3-carboxylic acid methyl esterSCHEMBL1935945QAA34169AKOS001204266CCG-320621DB-063981
Show more names
3-Furancarboxylic acid, 5-(hydroxymethyl)-2-methyl-, methyl ester
CS-0241837EN300-23903methyl 2-methyl-5-(hydroxymethyl)-3-furoateG44419methyl5-(hydroxymethyl)-2-methylfuran-3-carboxylatemethyl 5-(hydroxymethyl)-2-methyl-furan-3-carboxylateZ166632346
Database identifiers
- CAS
15341-69-2- PubChem CID
- 9106567
- DTXSID
DTXSID10429309- EC Number
- 992-471-2
- Nikkaji
- J1.135.469F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 34 · 34-36 °C
- Boiling point
- 112 · 112-114 °C
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±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
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%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
APAC Pharmaceutical, LLC[email protected]
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…