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Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester

Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester structure

CAS No:
5398-08-3
Formula:
C12H22O4
Chemical Name:
Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester
Synonyms:
Propanedioic acid,2-(3-methylbutyl)-,1,3-diethyl ester;Malonic acid,isopentyl-,diethyl ester;Propanedioic acid,(3-methylbutyl)-,diethyl ester;Diethyl isoamylmalonate;Diethyl 3-methylbutylmalonate;Diethyl isopentylmalonate;Diethyl 2-isopentylmalonate;(3-Methylbutyl)propanedioic acid diethyl ester;NSC 4569;1,3-Diethyl 2-(3-methylbutyl)propanedioate

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Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester Basic Attributes

Molecular Weight：

230.301

Exact Mass：

230.30

EC Number：

226-424-8

NSC Number：

4569

DSSTox ID：

DTXSID20202281

HScode：

2917190090

Characteristics

PSA：

52.60000

XLogP3：

2.99

Density：

1.0±0.1 g/cm3

Melting Point：

6ºC

Boiling Point：

241 °C

Flash Point：

109.8±16.9 °C

Refractive Index：

1.435

Safety Information

safety instructions：

S23-S24/25

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:230.30
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:230.15180918
Monoisotopic Mass:230.15180918
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester

SDS

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