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Ethylmalonic acid

Ethylmalonic acid structure

CAS No:
601-75-2
Formula:
C5H8O4
Chemical Name:
Ethylmalonic acid
Synonyms:
Propanedioic acid,2-ethyl-;Malonic acid,ethyl-;Propanedioic acid,ethyl-;2-Ethylpropanedioic acid;1,1-Propanedicarboxylic acid;Ethylmalonic acid;α-Carboxybutyric acid;NSC 96615;2-Ethylmalonic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Ethylmalonic acid is non-carcinogenic potentially toxic and associated with anorexia nervosa and malonyl-CoA decarboxylase deficiency.

Solid

Ethylmalonic acid is a dicarboxylic acid obtained by substitution of one of the methylene hydrogens of malonic acid by an ethyl group. It has a role as a human metabolite. It is a dicarboxylic acid and a lipid. It derives from a malonic acid. It is a conjugate acid of an ethylmalonate and an ethylmalonate(2-).

Ethylmalonic acid Basic Attributes

Molecular Weight：

132.11

Exact Mass：

132.11

BRN：

774334

EC Number：

210-007-2

UNII：

432NF49DFG

NSC Number：

96615

DSSTox ID：

DTXSID00208842

HScode：

29171990

Characteristics

PSA：

74.6

XLogP3：

0.4

Appearance：

Solid

Density：

1.5633 (rough estimate)

Melting Point：

114 °C

Boiling Point：

180 °C

Flash Point：

85°C c.c.

Water Solubility：

soluble in water, methanol (very faint turbidity), and ethanol.

Vapor Pressure：

Vapour pressure, Pa at 25°C: 36

Vapor Density：

Relative vapour density (air = 1): 5.52

Explosive limit：

vol% in air: 0.8 12.8

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Storage features：

Separated from strong oxidants. Ventilation along the floor. Store in an area without drain or sewer access.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,1-Propanedicarboxylic acid

Ethylmalonic acid Use and Manufacturing

Uses

Used as an intermediate in organic synthesis

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]

Computed Properties

Molecular Weight:132.11
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:132.04225873
Monoisotopic Mass:132.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:9
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethylmalonic acid

Unit Price: $3-3.5 /G FOB

CAS No.: 601-75-2

Grade: Industrial Grade

Content: 98%

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