Diethyl ethyl(1-methylbutyl)malonate

HCID 95450CAS 76-72-2
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Basic information

Standard SMILES
CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC
InChIKey
ZQGOJSLHZOKIBV-UHFFFAOYSA-N
Molecular formula
C14H26O4
Average molar mass
258.35 g/mol
Monoisotopic mass
258.18310931

Names & identifiers

Preferred name
Diethyl ethyl(1-methylbutyl)malonate
IUPAC
diethyl 2-ethyl-2-pentan-2-ylpropanedioate
English name
Diethyl ethyl(1-methylbutyl)malonate
Molecular formula
C14H26O4
Molecular weight
258.35

Names & synonyms

Diethyl ethyl(1-methylbutyl)malonate6LWT1P8JURPropanedioic acid, ethyl(1-methylbutyl)-, diethyl esterNSC-10824DTXSID601018955EINECS 200-981-7Malonic acid, ethyl(1-methylbutyl)-, diethyl esterNSC 10824AI3-11057EC 200-981-7MALONIC ACID, ETHYL(.ALPHA.-METHYLBUTYL)-, DIETHYL ESTERPROPANEDIOIC ACID, 2-ETHYL-2-(1-METHYLBUTYL)-, 1,3-DIETHYL ESTER
Show more names
DIETHYL ETHYL (1-METHYLBUTYL) MALONATEdiethyl 2-ethyl-2-pentan-2-yl-propanedioateETHYL(1-METHYLBUTYL)-MALONIC ACID DIETHYL ESTEREthyl(1-methylbutyl)propanedioic acid diethyl ester2-Ethyl-2-(1-methylbutyl)-malonic acid diethyl esterPropanedioic acid,2-ethyl-2-(1-Methylbutyl)-, 1,3-diethyl ester
RefChem:587218DTXCID701476966MALONIC ACID, ETHYL(ALPHA-METHYLBUTYL)-, DIETHYL ESTER200-981-776-72-2Diethyl 2-ethyl-2-(pentan-2-yl)malonateETHYL 2-ETHYL-2-(1-METHYLBUTYL)MALONATEdiethyl 2-ethyl-2-pentan-2-ylpropanedioate

Database identifiers

CAS
76-72-2
PubChem CID
95450
DTXSID
DTXSID601018955
UNII
6LWT1P8JUR
EC Number
200-981-7
Nikkaji
J122.039J

Properties

Computed structural properties

XLogP
4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
18

Physicochemical properties

Boiling point
120 · 120-122 °C(Press: 8 Torr)
Density
0.986 g/cm3 · 0.986 g/cm3
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
form
Oil
color
Clear Colourless

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester

REACH registered substance: Diethyl ethyl(1-methylbutyl)malonate (EC: 200-981-7)

Hazard Classes and CategoriesAcute Tox. 4 (40%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
REACH Registrations
Active
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

UsesDiethyl Ethyl(1-methylbutyl)malonate is used as a reagent in electrochemistry with urea to synthesize ureides from esters.

Upstream & downstream products

Downstream products

Suppliers31 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]

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