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Isopropyl 4-Hydroxy-3，5-dimethoxybenzoate - ≥95%, high purity , CAS No.858131-80-3

COA

Grade & Purity:

≥95%

Cas Number: 858131-80-3
Molecular Weight: 240.25
PubChem CID: 71581293

In stock

Item Number

I734971

Grouped product items
SKU	Size	Availability	Price	Qty
I734971-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,290.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Hydroxybenzoic acid derivatives
        Level6 Gallic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives
Direct Parent	Gallic acid and derivatives
Alternative Parents	p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Phenol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
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	propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate
INCHI	InChI=1S/C12H16O5/c1-7(2)17-12(14)8-5-9(15-3)11(13)10(6-8)16-4/h5-7,13H,1-4H3
InChIKey	UFDMGVMGWSSNPP-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)C1=CC(=C(C(=C1)OC)O)OC
Isomeric SMILES	CC(C)OC(=O)C1=CC(=C(C(=C1)OC)O)OC
PubChem CID	71581293
Molecular Weight	240.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.250 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	240.1 Da
Monoisotopic Mass	240.1 Da
Topological Polar Surface Area	65.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	239.000
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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Isopropyl 4-Hydroxy-3，5-dimethoxybenzoate - ≥95%, high purity , CAS No.858131-80-3

Basic Description