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Structure

Dimethyl dicarbonate

CAS
4525-33-1
Catalog Number
ACM4525331
Category
Other Products
Molecular Weight
134.09
Molecular Formula
C4H6O5

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Specification

Description
Dimethyl dicarbonate (DMDC) is an organic compound which is a Colorless liquid with a sharp odor at room temperature. It is primarily used as a beverage preservative, processing aid, or sterilant (INS No. 242), and acts by inhibiting the enzymes acetate kinase and L-glutamic acid decarboxylase. It has also been proposed that DMDC inhibits the enzymes alcohol dehydrogenase and glyceraldehyde 3-phosphate dehydrogenase by causing the methoxycarbonylation of their histidine components.
Synonyms
methoxycarbonyl methyl carbonate;DMPC Dimethyl pyrocarbonate Pyrocarbonic acid dimethyl ester;
IUPAC Name
methoxycarbonyl methyl carbonate
Canonical SMILES
COC(=O)OC(=O)OC
InChI
InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
InChI Key
GZDFHIJNHHMENY-UHFFFAOYSA-N
Boiling Point
45-46°C5mm Hg(lit.)
Melting Point
15-17ºC
Flash Point
80ºC
Density
1.242 g/cm³
Hazard Codes
T
Hazard Statements
T
HS Code
2920909090
LogP
0.53580
PSA
61.83
Refractive Index
n20/D 1.392(lit.)
RIDADR
UN 2927 6.1/PG 2
Safety Description
18-26-28-36/37/39-38-45
Storage Conditions
2-8ºC
Supplemental Hazard Statements
H302+H312-H314-H330
Symbol
GHS05,GHS06
What is the molecular formula of Dimethyl dicarbonate?

The molecular formula of Dimethyl dicarbonate is C4H6O5.

What are some synonyms for Dimethyl dicarbonate?

Some synonyms for Dimethyl dicarbonate are Velcorin and Dimethyl pyrocarbonate.

What is the molecular weight of Dimethyl dicarbonate?

The molecular weight of Dimethyl dicarbonate is 134.09 g/mol.

What is the IUPAC name of Dimethyl dicarbonate?

The IUPAC name of Dimethyl dicarbonate is methoxycarbonyl methyl carbonate.

What is the InChIKey of Dimethyl dicarbonate?

The InChIKey of Dimethyl dicarbonate is GZDFHIJNHHMENY-UHFFFAOYSA-N.

What is the CAS number of Dimethyl dicarbonate?

The CAS number of Dimethyl dicarbonate is 4525-33-1.

How many hydrogen bond acceptor counts are there in Dimethyl dicarbonate?

There are 5 hydrogen bond acceptor counts in Dimethyl dicarbonate.

What is the topological polar surface area of Dimethyl dicarbonate?

The topological polar surface area of Dimethyl dicarbonate is 61.8 Ų.

How many rotatable bond counts are there in Dimethyl dicarbonate?

There are 4 rotatable bond counts in Dimethyl dicarbonate.

What is the formal charge of Dimethyl dicarbonate?

The formal charge of Dimethyl dicarbonate is 0.

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