CAS 117-82-8 | 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methoxyethyl) ester | CAS Number 117-82-8

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117-82-8 | 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methoxyethyl) ester

CAS No: 117-82-8 Catalog No: AG000DI6 MDL No:MFCD00042842

Product Description

Catalog Number:

AG000DI6

Chemical Name:

1,2-Benzenedicarboxylic acid, 1,2-bis(2-methoxyethyl) ester

CAS Number:

117-82-8

Molecular Formula:

C14H18O6

Molecular Weight:

282.2891

MDL Number:

MFCD00042842

IUPAC Name:

bis(2-methoxyethyl) benzene-1,2-dicarboxylate

InChI:

InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3

InChI Key:

HSUIVCLOAAJSRE-UHFFFAOYSA-N

SMILES:

COCCOC(=O)c1ccccc1C(=O)OCCOC

EC Number:

204-212-6

UNII:

68W8XUO221

NSC Number:

2147

RTECS Number:

TI1400000

Properties

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.292g/mol

Monoisotopic Mass:

282.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Phthalate levels in cord blood are associated with preterm delivery and fetal growth parameters in Chinese women.	PloS one 20140101
Mutagenicity and genotoxicity of tannery effluents used for irrigation at Kanpur, India.	Ecotoxicology and environmental safety 20101001
Di(2-ethylhexyl)phthalate induces hepatic tumorigenesis through a peroxisome proliferator-activated receptor alpha-independent pathway.	Journal of occupational health 20070501
Screening-level risk assessment of Di(2-ethylhexyl)phthalate for aquatic organisms using monitoring data in Japan.	Environmental monitoring and assessment 20060401