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Dimethyl 2-methyl-1,4-phthalate - 97%, high purity , CAS No.14186-60-8
Discover Dimethyl 2-methyl-1,4-phthalate by Aladdin Scientific in 97% for only $85.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
SCHEMBL45823 | MFCD11502730 | A807821 | CS-0111067 | Dimethyl 2-methylterephthalate | dimethyl-2-methylterephthalate | Dimethyl2-methylterephthalate | 1,4-Benzenedicarboxylic acid, 2-methyl-, dimethyl ester | AKOS016008467 | EINECS 238-039-2 | SY267876 |
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives - Phthalate esters
Direct Parent
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives Benzoic acid esters Benzoyl derivatives Toluenes Dicarboxylic acids and derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Toluene - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
dimethyl 2-methylbenzene-1,4-dicarboxylate
INCHI
InChI=1S/C11H12O4/c1-7-6-8(10(12)14-2)4-5-9(7)11(13)15-3/h4-6H,1-3H3
InChIKey
DXIRJLBDSXBZCS-UHFFFAOYSA-N
Smiles
CC1=C(C=CC(=C1)C(=O)OC)C(=O)OC
Isomeric SMILES
CC1=C(C=CC(=C1)C(=O)OC)C(=O)OC
Molecular Weight
208.21
Reaxy-Rn
2052211
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052211&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
208.210 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
208.074 Da
Monoisotopic Mass
208.074 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
249.000
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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