3,5-Bis[3,5-bis(methoxycarbonyl)phenoxymethyl]phenol - ≥98%(HPLC) , CAS No.186605-76-5

CAS: 186605-76-5 Cat. No.: B153227 Molecular Weight: 538.51
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
B2865 | dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-hydroxyphenyl]methoxy]benzene-1,3-dicarboxylate | SCHEMBL13945260 | MFCD09038500 | DTXSID10456019 | 3,5-Bis[3,5-bis(methoxycarbonyl)phenoxymethyl]phenol | Tetramethyl 5,5'-(((5-hydroxy-1,3
Storage
Room temperature
Shipped In
Normal
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50mg
B153227-50mg
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250mg
B153227-250mg
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$529.90

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1g
B153227-1g
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$1,471.90

$1,717.90
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
B2865 | dimethyl 5-[[3-[[3, 5-bis(methoxycarbonyl)phenoxy]methyl]-5-hydroxyphenyl]methoxy]benzene-1, 3-dicarboxylate | SCHEMBL13945260 | MFCD09038500 | DTXSID10456019 | 3, 5-Bis[3, 5-bis(methoxycarbonyl)phenoxymethyl]phenol | Tetramethyl 5, 5'-(((5-hydroxy-1, 3
Specifications & Purity
≥98%(HPLC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(HPLC)
Names and Identifiers
Canonical SmilesCOC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)O)COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)OC
IUPAC Namedimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-hydroxyphenyl]methoxy]benzene-1,3-dicarboxylate
InChIKeyUSUINPRIDFWVMZ-UHFFFAOYSA-N
INCHI1S/C28H26O11/c1-34-25(30)18-8-19(26(31)35-2)11-23(10-18)38-14-16-5-17(7-22(29)6-16)15-39-24-12-20(27(32)36-3)9-21(13-24)28(33)37-4/h5-13,29H,14-15H2,1-4H3
Isomeric SMILES COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)O)COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)OC
Molecular Weight 538.51
Reaxy-Rn 7505047
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7505047&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Phthalic acid and derivatives - Phthalate esters
Direct Parentm-Phthalate esters
Alternative Parents M-phthalic acid and derivatives  Benzoic acid esters  Phenoxy compounds  Phenol ethers  Benzoyl derivatives  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Methyl esters  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Solubilitysoluble in chloroform
Melt Point(°C)163 °C
Molecular Weight538.500 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass538.148 Da
Monoisotopic Mass538.148 Da
Topological Polar Surface Area144.000 Ų
Heavy Atom Count39
Formal Charge0
Complexity731.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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