焦碳酸二甲酯

Description

dimethyl dicarbonate is identified by CAS 4525-33-1, molecular formula C4H6O5 and molecular weight 134.02 g/mol. UNII 1AY9229ZMG; ChEBI 173546; InChIKey GZDFHIJNHHMENY-UHFFFAOYSA-N. Boiling Point: BP: 44-47 °C at 5 mm Hg; Boiling Point: 45.00 to 46.00 °C. @ 5.00 mm Hg; Melting Point: 15 - 17 °C.

Identification

CAS Registry Number	4525-33-1
PubChem CID	3086
Molecular formula	C4H6O5
Molecular weight	134.02 g/mol
IUPAC name	methoxycarbonyl methyl carbonate
InChIKey	GZDFHIJNHHMENY-UHFFFAOYSA-N
UNII (FDA)	1AY9229ZMG
ChEBI ID	CHEBI:173546

Computed Descriptors

Molecular Weight	134.09
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	134.02152329
Monoisotopic Mass	134.02152329
Topological Polar Surface Area	61.8
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	BP: 44-47 °C at 5 mm Hg
Boiling Point	45.00 to 46.00 °C. @ 5.00 mm Hg
Melting Point	15 - 17 °C
Density	1.25 mg/L at 25 °C
Autoignition Temperature	Approximately 465 °C (869 °F)

Physical description & handling notes

• Colourless liquid, decomposes in aqueous solution. It is corrosive to skin and eyes and toxic by inhalation and ingestion
• Liquid
• Clear, colorless liquid
• Colorless liquid
• Soluble in water with decomposition; miscible with toluene
• dec.

Regulatory Status

Regulatory & Food Contact

FDA Substance added to food: ANTIMICROBIAL AGENT FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS PRESERVATIVE: Food Additives As a microbial control agent in non-carbonated juice beverages containing up to and including 100 percent juic Dimethyl dicarbonate (CAS Reg. No. 4525-33-1) As a microbial control agent in ready-to-drink 1) hard seltzer and shandy with no more than 8% alcohol by volu

GHS Hazard Classification

Reported hazard statements	H226 (23.6%), H302 (99.1%), H312 (36.8%), H314 (99.1%), H318 (35.8%), H330 (99.1%)

Documented Uses

• Potential preservative in unstandardized water-based non-alcoholic beverages (ready-to-drink teas, fruit-flavored sport drinks, energy drinks, and carbonated flavored soft drinks).
• Dimethyldicarbonate (DMDC) is used as a cold sterilization agent for soft drinks and wines. It has a broad antimicrobial range of action against yeasts, mold fungi, and bacteria.
• To help prevent fermentation in finished wines; to control spoilage yeast such as Brettanomyces; to decrease the amount of sulfur dioxide used in wines; to reduce warehouse holding time in early-to-market wines /Velcorin/
• Food Additives -> PRESERVATIVE -> JECFA Functional Classes
• Dicarbonic acid, 1,3-dimethyl ester: ACTIVE
• Dimethyldicarbonate (DMDC) is unstable in aqueous solution and breaks down almost immediately after addition to beverages. The principal breakdown products in wine and aqueous liquids are methanol and carbon dioxide. Dimethylcarbonate (DMC) and methyl ethyl carbonate (MEC), as well as carbomethoxy adducts of amines, sugars, and fruit acids, are also formed in minor amounts. In the presence of trace quantities of ammonia or ammonium ions (e.g. in wines), DMDC forms trace quantities of methylcarbamate (MC).

Synonyms

dimethyl dicarbonate; 4525-33-1; Velcorin; Dimethyl pyrocarbonate; Dicarbonic acid, dimethyl ester; Methyl pyrocarbonate; Dimethyl oxydiformate; Formic acid, oxydi-, dimethyl ester; 1AY9229ZMG; Dicarbonic acid, C,C'-dimethyl ester; INS NO.242; DTXSID2052108; INS-242; E-242; RefChem:134235; DTXCID4030675

Frequently Asked Questions

What are the CAS number and molecular formula of dimethyl dicarbonate?

CAS 4525-33-1; molecular formula C4H6O5; molecular weight 134.02 g/mol.

What other names is dimethyl dicarbonate known by?

dimethyl dicarbonate, 4525-33-1, Velcorin, Dimethyl pyrocarbonate, Dicarbonic acid, dimethyl ester, Methyl pyrocarbonate.

What is the regulatory status of dimethyl dicarbonate?

Documented regulatory listings: FDA Substance added to food: ANTIMICROBIAL AGENT; FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS; PRESERVATIVE: Food Additives.

Is dimethyl dicarbonate classified as hazardous?

Hazard statements reported: H226, H302, H312, H314, H318.

What are the key physical properties of dimethyl dicarbonate?

Boiling Point: BP: 44-47 °C at 5 mm Hg; Boiling Point: 45.00 to 46.00 °C. @ 5.00 mm Hg; Melting Point: 15 - 17 °C; Density: 1.25 mg/L at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.