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Methyl levulinate

Methyl levulinate structure

CAS No:
624-45-3
Formula:
C6H10O3
Chemical Name:
Methyl levulinate
Synonyms:
Pentanoic acid,4-oxo-,methyl ester;Levulinic acid,methyl ester;Methyl levulinate;Methyl 4-oxopentanoate;Methyl levulate;4-Oxopentanoic acid methyl ester;Methyl 4-oxovalerate;Methyl β-acetylpropionate;NSC 24874;4-Oxovaleric acid methyl ester;1790637-13-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless liquid

Clear colourless liquid; Mild carmellic aroma

Methyl levulinate is an oxo carboxylic acid.

Methyl levulinate Basic Attributes

Molecular Weight：

130.14200

Exact Mass：

130.14

EC Number：

210-846-4

UNII：

3Q95S830W6

NSC Number：

24874

DSSTox ID：

DTXSID80211455

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

0.52860

Appearance：

Clear colourless liquid; Mild carmellic aroma

Density：

1.05113 g/cm³ @ Temp: 20 °C

Melting Point：

237 °C

Boiling Point：

196 °C

Flash Point：

72ºC

Refractive Index：

1.422

Water Solubility：

Sparingly soluble in water

Storage Conditions：

Keep container tightly sealed. Store in cool, dry place in tightly closed containers.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S23-S24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 122 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

levulinic acid, methyl ester

Methyl levulinate Use and Manufacturing

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:130.14
XLogP3:-0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:130.062994177
Monoisotopic Mass:130.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl acetoacetate

Acetylacetone

Sodium methoxide

Glucose

Dimethyl carbonate

Methanol

Acetaldehyde

Hydrochloric acid

Starch

Furfuryl alcohol

Furfural

Downstream Products

Dimethyl oxalate

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