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Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate structure

CAS No:
3385-34-0
Formula:
C10H12O4
Chemical Name:
Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Synonyms:
2H-Pyran-5-carboxylic acid,4,6-dimethyl-2-oxo-,ethyl ester;Glutaconic acid,4-(1-hydroxyethylidene)-3-methyl-,δ-lactone,ethyl ester;Coumalic acid,4,6-dimethyl-,ethyl ester;Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate;Ethyl isodehydroacetate;Ethyl 4,6-dimethyl-5-coumalate;5-(Ethoxycarbonyl)-4,6-dimethyl-α-pyrone;Ethyl isodehydracetate;NSC 18911;NSC 602920;2,4-Dimethyl-6-oxo-6H-pyran-3-carboxylic acid ethyl ester

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Description

clear colorless to yellow liquid

Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate Basic Attributes

Molecular Weight：

196.2

Exact Mass：

196.20

BRN：

145951

EC Number：

222-195-3

NSC Number：

602920|18911

DSSTox ID：

DTXSID80187489

HScode：

2932209090

Characteristics

PSA：

52.6

XLogP3：

1.43330

Appearance：

Colorless or pale yellow liquid

Density：

1.1619 g/cm³ @ Temp: 25 °C

Melting Point：

18-20 °C

Boiling Point：

150-176 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.515(lit.)

Water Solubility：

H2O: Insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

Computed Properties

Molecular Weight:196.20
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:196.07355886
Monoisotopic Mass:196.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

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