Malonic acid, diethyl-

HCID 68185
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
510-20-3
Standard SMILES
CCC(CC)(C(=O)O)C(=O)O
InChIKey
LTMRRSWNXVJMBA-UHFFFAOYSA-N
Molecular formula
C7H12O4
Average molar mass
160.17 g/mol
Monoisotopic mass
160.07355886

Overview

isomer of diethyl malonate which is a di-ester

Names & identifiers

Preferred name
Malonic acid, diethyl-
IUPAC
2,2-diethylpropanedioic acid
English name
DIETHYLMALONIC ACID
Molecular formula
C7H12O4
Molecular weight
160.17

Names & synonyms

Diethylmalonic acid510-20-32,2-diethylpropanedioic acidPropanedioic acid, diethyl-3,3-Pentanedicarboxylic acidMalonic acid, diethyl-QHT44LOC3WNSC-1986DTXSID9060150RefChem:133514Propanedioic acid, diethylDTXCID6040953
Show more names
DiethylMalonateGrRARECHEM AL BO 2167Diethylmalonic acid 98%diethyl-propanedioicaciDiethylMalonateForSynthesis
208-111-82,2-Diethylmalonic aciddiethylpropanedioic acidUNII-QHT44LOC3WMFCD00004202NSC 1986EINECS 208-111-8NSC1986

Database identifiers

CAS
510-20-3
PubChem CID
68185
DTXSID
DTXSID9060150
UNII
QHT44LOC3W
EC Number
208-111-8
Nikkaji
J6.259F

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionSolid; [Merck Index] White crystalline solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
129 · 129-131 °C (lit.)
Boiling point
328.8 °C · 328.8°C (rough estimate)
Density
1.3681 · 1.3681 (rough estimate)
refractive index
1.4336 · 1.4336 (estimate)
Flash point
61 °C · 61 °C
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Propanedioic acid, diethyl-

Propanedioic acid, diethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2,2-Dimethylmalonic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanedioic acid, 2,2-diethyl-: INACTIVE

Applications

UsesDiethylmalonic acid is used in chemistry as a buffer with a capacity of pH values above 5.8.

Upstream & downstream products

Suppliers37 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

Loading…