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Diethyl 2-(p-tolyl)malonate - 95%, high purity , CAS No.29148-27-4

COA

Grade & Purity:

≥95%

Cas Number: 29148-27-4
Molecular Weight: 250.29
MDL number: MFCD00013242
PubChem CID: 570878

In stock

Item Number

D169321

Grouped product items
SKU	Size	Availability	Price	Qty
D169321-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
D169321-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90

Discover Diethyl 2-(p-tolyl)malonate by Aladdin Scientific in 95% for only $60.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MFCD00013242 \| SCHEMBL4068942 \| diethyl 2-(4-methylphenyl)propanedioate \| 2-p-Tolyl-malonic acid diethyl ester \| DIETHYL2-(P-TOLYL)MALONATE \| Diethyl 2-(p-tolyl)malonate \| diethyl 2-(p-tolyl)-malonate \| AKOS009158135 \| Diethyl 2-(p-tolyl)malonate, 95% \| F
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Toluenes Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	diethyl 2-(4-methylphenyl)propanedioate
INCHI	InChI=1S/C14H18O4/c1-4-17-13(15)12(14(16)18-5-2)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3
InChIKey	WGBSHZUHSDGHLV-UHFFFAOYSA-N
Smiles	CCOC(=O)C(C1=CC=C(C=C1)C)C(=O)OCC
Isomeric SMILES	CCOC(=O)C(C1=CC=C(C=C1)C)C(=O)OCC
WGK Germany	3
Molecular Weight	250.29
Reaxy-Rn	655041
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=655041&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.492
Flash Point(°F)	>235.4 °F
Flash Point(°C)	>113 °C
Boil Point(°C)	124-125 °C/1 mmHg
Molecular Weight	250.290 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	250.121 Da
Monoisotopic Mass	250.121 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	262.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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