Products for Research Use Only
RegisterLogin

Methyl levulinate

CAT: 0926-FM66769-03Size: 1 KgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FM66769-03Size:1 Kg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
624-45-3
Synonyms
Levulinic acid methyl ester
MDL Number
MFCD00017499
Smiles
CC (=O) CCC (=O) OC
Molecular Formula
C6H10O3
Molecular Weight
130.14 g/mol
Controlled
No

Chemical Information

Methyl levulinate

Methyl levulinate is an oxo carboxylic acid.

CAS Number624-45-3
PubChem CID69354
IUPAC Namemethyl 4-oxopentanoate
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP-0.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
CC(=O)CCC(=O)OC
InChI
InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChIKey
UAGJVSRUFNSIHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl levulinate
CAS: 624-45-3
CID: 69354
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AAA53988Ethyl Levulinate
FS179564-01Sodium levulinate
CAA05215-01Butyl levulinate
CDA40203-01Methyl acrylamidoglycolate methyl ester
CAC27280-01Benzyl N- ({[ (cyclopropylcarbamoyl) methyl] (methyl) carbamoyl}methyl) carbamate
KBA61598-01Methyl 4-methyl-1-naphthoate
JDB64956-01[ (4-Methanesulfonylphenyl) methyl] (methyl) amine
PAA98318-01Methyl 3-methyl-5-oxohexanoate
SDC10855-01Methyl[ (4-methylcyclohexyl) methyl]amine
SCA96443-01Methyl 3-methyl-2-sulfanylbutanoate

Alternative Products

CatalogName
455940-01Methyl Levulinate
HY-N3272R-01Methyl levulinate (Standard)
T203867-01Propyl Levulinate
443802-01Calcium Levulinate
T24032-01Ephedrine levulinate
sc-227547Butyl levulinate
TRC-N262190-5GNicotine Levulinate
449674-01Ethyl Levulinate

Popular Products