丙二酸二甲酯

Description

Dimethyl malonate · CAS 108-59-8 · C5H8O4. UNII EM8Y79998C. Vapor Pressure: 14.7 [mmHg]; LogP: -0.05; Ionization Efficiency: 1.58.

Identification

CAS Registry Number	108-59-8
PubChem CID	7943
Molecular formula	C5H8O4
IUPAC name	dimethyl propanedioate
UNII (FDA)	EM8Y79998C

Computed Descriptors

Molecular Weight	132.11
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	132.04225873
Monoisotopic Mass	132.04225873
Topological Polar Surface Area	52.6
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	14.7 [mmHg]
LogP	-0.05
Ionization Efficiency	1.58
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1021/ac902856t

Physical description & handling notes

• Liquid
• Liquid; [Merck Index] Colorless liquid with an ester-like odor; [OECD SIDS: Malonic Acid Diesters - 2005]
• Positive
• Agilent XCT
• Electrospray ionization
• formic acid (5.3nM)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents
GHS notification summary	86.3% (1530 / 1773)

GHS Hazard Classification

GHS notification summary	86.3% (1530 / 1773)
Reported hazard statements	H319 (13.6%)

Documented Uses

• Naturally occurring as a volatile in fruits such as pineapples, bananas, and blackberries; Used as an intermediate for agrochemicals, pharmaceuticals, industrial chemicals, and other compounds; [OECD SIDS: Malonic Acid Diesters - 2005]
• 2023: 1,000,000 - <5,000,000 lb
• 2022: 1,000,000 - <5,000,000 lb
• 2021: 1,000,000 - <5,000,000 lb
• 2020: 1,000,000 - <5,000,000 lb
• Propanedioic acid, 1,3-dimethyl ester: ACTIVE

Synonyms

Dimethyl malonate; 108-59-8; Dimethyl propanedioate; Methyl malonate; MALONIC ACID, DIMETHYL ESTER; DTXSID4029145; EM8Y79998C; DTXCID309145; RefChem:134253; 203-597-8; Malonic Acid Dimethyl Ester; Propanedioic acid, dimethyl ester; 1,3-dimethyl propanedioate; C5H8O4; MFCD00008460; Malonic acid-dimethyl ester

Frequently Asked Questions

What are the CAS number and molecular formula of Dimethyl malonate?

CAS 108-59-8; molecular formula C5H8O4; molecular weight — g/mol.

What other names is Dimethyl malonate known by?

Dimethyl malonate, 108-59-8, Dimethyl propanedioate, Methyl malonate, MALONIC ACID, DIMETHYL ESTER, DTXSID4029145.

What is the regulatory status of Dimethyl malonate?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is Dimethyl malonate classified as hazardous?

86.3% of GHS notifications report no hazard classification (1530 of 1773).

What are the key physical properties of Dimethyl malonate?

Vapor Pressure: 14.7 [mmHg]; LogP: -0.05; Ionization Efficiency: 1.58; Ionization Efficiency: 2.7.

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.