Diethyl methylmalonate CAS 609-08-5 C8H14O4

Diethyl methylmalonate (C8H14O4), with a molecular weight of 174.19 and CAS number 609-08-5, is a colorless, transparent liquid. It has a density of 1.022 g/cm³ (20℃), a boiling point of 198-199℃, a flash point of 76℃, and a refractive index of 1.4126. It is insoluble in water. This substance is an organic synthesis intermediate, mainly used in the synthesis of dipropylmalonic acid and the antiepileptic drug antiepileptica. Downstream products include compounds such as 2,5-dimethylpyridine.

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Description

Diethyl methylmalonate Basic information
Product Name:	Diethyl methylmalonate
CAS:	609-08-5
MF:	C8H14O4
MW:	174.19
EINECS:	210-175-7
Mol File:	609-08-5.mol
Diethyl methylmalonate Chemical Properties
Boiling point	198-199 °C (lit.) 78-80 °C/10 mmHg
density	1.022 g/mL at 20 °C (lit.)
refractive index	n20/D 1.413(lit.)
Fp	170 °F
storage temp.	Sealed in dry,Room Temperature
solubility	1000mg/l
form	Liquid
pka	13.13±0.46(Predicted)
Specific Gravity	1.013
color	Clear colorless
PH	8 (1000mg/l, H2O, 20℃)
Water Solubility	immiscible
BRN	637028
InChI	1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
InChIKey	UPQZOUHVTJNGFK-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C)C(=O)OCC
LogP	1.256 (est)
CAS DataBase Reference	609-08-5(CAS DataBase Reference)
NIST Chemistry Reference	Propanedioic acid, methyl-, diethyl ester(609-08-5)
EPA Substance Registry System	Propanedioic acid, methyl-, diethyl ester (609-08-5)

Application:

Flavor and fragrance

Safety profile:

This product is a non-toxic and safe ingredient that is good for the skin when used in small quantities. It is also non-sensitizing but can be mildly irritating for sensitive skin. A patch test is, therefore, recommended. This product is also safe for the environment and may or may not be considered vegan – depending upon its source.

Storage requirements:

keep the product dry

relative humidity < 50%

protect product against influences of weather and contamination

Transport & Packaging:

This product for technical applications is solely supplied in packaging of different sizes . It can be packaged in various items: 25 L drums, 1000 L IBC drums.