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Dimethyl 4-Hydroxyisophthalate - ≥97.0%(GC), high purity , CAS No.5985-24-0

COA

Grade & Purity:

≥97%(GC)

Cas Number: 5985-24-0
Molecular Weight: 210.19
Beilstein Registry Number: 10(4)2093
MDL number: MFCD00152444
PubChem CID: 80087
PubChem SID: 488185815

In stock

Item Number

D137637

Grouped product items
SKU	Size	Availability	Price
D137637-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
D137637-250mg	250mg	4	$17.90
D137637-1g	1g	5	$55.90
D137637-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$165.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	EINECS 227-803-0 \| NSC-51803 \| CCG-266647 \| 4-HYDROXYISOPHTHALIC ACID DIMETHYL ESTER [MI] \| AKOS001039205 \| NSC 109108 \| 4-Hydroxy isophthalic acid dimethyl ester \| 1,3-Benzenedicarboxylic acid, 4-hydroxy-, 1,3-dimethyl ester \| 1,3-Benzenedicarboxylic aci
Specifications & Purity	≥97%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 Phthalate esters
        Level7 m-Phthalate esters

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	m-Phthalate esters
Alternative Parents	M-phthalic acid and derivatives p-Hydroxybenzoic acid alkyl esters o-Hydroxybenzoic acid esters Salicylic acid and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta-phthalic acid ester - Meta_phthalic_acid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
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	488185815
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185815
IUPAC Name	dimethyl 4-hydroxybenzene-1,3-dicarboxylate
INCHI	InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3
InChIKey	ALBUJVBOIXVVLS-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=C(C=C1)O)C(=O)OC
Isomeric SMILES	COC(=O)C1=CC(=C(C=C1)O)C(=O)OC
Molecular Weight	210.19
Beilstein	10(4)2093
Reaxy-Rn	2116336
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2116336&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
D2108208	Certificate of Analysis	Jan 15, 2023	D137637
D2108207	Certificate of Analysis	Jan 15, 2023	D137637
D2108212	Certificate of Analysis	Jan 15, 2023	D137637
F2325366	Certificate of Analysis	Jan 15, 2023	D137637

Chemical and Physical Properties

Solubility	Soluble in ethanol, and acetone. Insoluble in water.
Melt Point(°C)	95.0 - 99.0 °C
Molecular Weight	210.180 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	210.053 Da
Monoisotopic Mass	210.053 Da
Topological Polar Surface Area	72.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	250.000
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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