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2,6-Diethoxybenzoic acid - 97%, high purity , CAS No.82935-36-2

COA

Grade & Purity:

≥97%

Cas Number: 82935-36-2
Molecular Weight: 210.23
MDL number: MFCD00156982
PubChem CID: 3431853
PubChem SID: 488194396

In stock

Item Number

D469716

Grouped product items
SKU	Size	Availability	Price
D469716-250mg	250mg	3	$160.90
D469716-1g	1g	2	$531.90
D469716-5g	5g	1	$2,390.90

Basic Description

Synonyms	EN300-9427202 \| 2 6-Diethoxybenzoic acid 97 \| 2,6-Diethoxybenzoicacid \| 2,6-Diethoxybenzoic acid \| TS-00424 \| MFCD00156982 \| SCHEMBL1672245 \| 2,6-Diethoxybenzoic acid, 97% \| AKOS000298679 \| DTXSID40392416 \| XUIVSLVJEQVKLB-UHFFFAOYSA-N
Specifications & Purity	≥97%
Product Description	Description 2,6-Diethoxybenzoic acid undergoes catalytic hydrodecarboxylation in the presence of toluene/D2O to afford 2-d-1,3-diethoxybenzene.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Ether - Carboxylic acid - 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 benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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

Pubchem Sid	488194396
IUPAC Name	2,6-diethoxybenzoic acid
INCHI	InChI=1S/C11H14O4/c1-3-14-8-6-5-7-9(15-4-2)10(8)11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKey	XUIVSLVJEQVKLB-UHFFFAOYSA-N
Smiles	CCOC1=C(C(=CC=C1)OCC)C(=O)O
Isomeric SMILES	CCOC1=C(C(=CC=C1)OCC)C(=O)O
Molecular Weight	210.23
Reaxy-Rn	2695139
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2695139&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
I2307402	Certificate of Analysis	Aug 29, 2023	D469716
I2307403	Certificate of Analysis	Aug 29, 2023	D469716
I2307397	Certificate of Analysis	Aug 29, 2023	D469716
I2307396	Certificate of Analysis	Aug 29, 2023	D469716
I2307400	Certificate of Analysis	Aug 29, 2023	D469716
I2307401	Certificate of Analysis	Aug 29, 2023	D469716

Chemical and Physical Properties

Molecular Weight	210.230 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	210.089 Da
Monoisotopic Mass	210.089 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191.000
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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