Dimethyl methylmalonate

HCID 69104
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Basic information

CAS
609-02-9
Standard SMILES
COC(=O)C(C)C(=O)OC
InChIKey
LRBPFPZTIZSOGG-UHFFFAOYSA-N
Molecular formula
C6H10O4
Average molar mass
146.14 g/mol
Monoisotopic mass
146.0579088

Names & identifiers

Preferred name
Dimethyl methylmalonate
IUPAC
dimethyl 2-methylpropanedioate
English name
Dimethyl methylmalonate
Molecular formula
C6H10O4
Molecular weight
146.14

Names & synonyms

Dimethyl methylmalonate609-02-9Dimethyl 2-methylmalonatedimethyl 2-methylpropanedioatePropanedioic acid, methyl-, dimethyl ester1,3-dimethyl 2-methylpropanedioateMalonic acid, methyl-, dimethyl esterZG8ZA68IB3EINECS 210-173-6UNII-ZG8ZA68IB3NSC 143779NSC-143779
Show more names
Dimethyl isosuccinateEthylidenebis(formic acid methyl) esterIsosuccinic acid dimethylMethylmalonic acid dimethylDimethyl Methylmalonate,>98%imethyl2-methylpropanedioate
Propanedioic acid, 2-methyl-, 1,3-dimethyl esterDTXSID5060564METHYLPROPANEDIOIC ACID DIMETHYL ESTERPropanedioic acid, 2-methyl-, dimethyl esterRefChem:134255DTXCID3042897Malonic acid, methyl-, dimethyl ester (8CI)210-173-6

Database identifiers

CAS
609-02-9
PubChem CID
69104
DTXSID
DTXSID5060564
UNII
ZG8ZA68IB3
EC Number
210-173-6
Nikkaji
J45.105C

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point
176 · 176-177 °C(lit.)
Density
1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
vapor pressure
0.2 mm · 0.2 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.414(lit.)
Flash point
169 °F · 169 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
tsca
TSCA listed
hs_code
2917198090
Signal word
Danger
Symbol(GHS)
GHS07,GHS08,GHS02

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanedioic acid, 2-methyl-, 1,3-dimethyl ester: INACTIVE

Applications

UsesDimethyl methylmalonate is a versatile compound with multiple uses in the chemical industry. It is a key ingredient in the synthesis of flavours and other organic compounds.

General DescriptionDimethyl methylmalonate is an ester. Microwave-enhanced Pd(0)/acetic acid catalyzed allylation of C, N and O-nucleophiles with dimethyl methylmalonate has been reported.

Upstream & downstream products

Suppliers100 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

31 records
New reaction record

Compound notes

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