Methyl levulinate - CAS 624-45-3

Catalog:	BB031592
Product Name:	Methyl levulinate
CAS:	624-45-3
Synonyms:	methyl 4-oxopentanoate
Application:	1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid (cas# 1250624-45-3) is a useful research chemical.

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Computed Properties

IUPAC Name:	methyl 4-oxopentanoate
Description:	Methyl levulinate (CAS# 624-45-3) is a useful research chemical.
Molecular Weight:	130.14
Molecular Formula:	C6H10O3
Canonical SMILES:	CC(=O)CCC(=O)OC
InChI:	InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChI Key:	UAGJVSRUFNSIHR-UHFFFAOYSA-N
Boiling Point:	193-195 ℃
Density:	1.051 g/cm³
Solubility:	Sparingly soluble in water
Appearance:	Oil
MDL:	MFCD00017499
LogP:	0.52860
Refractive Index:	1.419-1.425

Publication Number	Title	Priority Date
CN-113416142-A	Preparation method of 5-ALA intermediate 5-bromolevulinate	20210622
CN-112608218-A	Synthetic method of pentanediol and synthetic method for preparing biomass-based piperylene by converting levulinic acid and derivatives thereof	20201230
CN-112473736-A	Novel supported polyacid catalyst and application thereof in preparation of levulinate	20201204
CN-112479171-A	Metal phosphate, preparation method thereof and application thereof in catalytic esterification reaction	20201124
CN-111944776-A	Carbonyl reductase and application thereof	20200903

PMID	Publication Date	Title	Journal
22841826	20120901	One-pot preparation of methyl levulinate from catalytic alcoholysis of cellulose in near-critical methanol	Carbohydrate research
22853329	20120817	First enantioselective total synthesis of (+)-(R)-Pinnatolide using an asymmetric domino allylation reaction	Organic letters
22730169	20120801	Acid-catalyzed conversion of xylose in methanol-rich medium as part of biorefinery	ChemSusChem
22330239	20120312	Concise one-pot preparation of unique bis-pyrrolidinone tetrazoles	ACS combinatorial science
22269394	20120123	Comparative researches on two direct transmethylation without prior extraction methods for fatty acids analysis in vegetal matrix with low fat content	Chemistry Central journal

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.062994177
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.062994177
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1