2,6-Dimethoxybenzoic acid - 10mM in DMSO , CAS No.1466-76-8

CAS: 1466-76-8 Cat. No.: D421702 Molecular Weight: 182.17 Beilstein Registry Number: 2212190 EC Number: 215-985-4
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GRADE & PURITY 10mM in DMSO
Synonyms
G6B3P1LO43 | InChI=1/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11 | PD065269 | Q27161685 | AE-562/41973422 | AMY18251 | AS-12084 | SCHEMBL149926 | Benzoic acid, 2,6-dimethoxy- | HY-76504 | Tox21_301998 | 2,6-Dimethoxybenzoic acid, Vetec(T
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
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1ml
D421702-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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
G6B3P1LO43 | InChI=1/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H, 1-2H3, (H, 10, 11 | PD065269 | Q27161685 | AE-562/41973422 | AMY18251 | AS-12084 | SCHEMBL149926 | Benzoic acid, 2, 6-dimethoxy- | HY-76504 | Tox21_301998 | 2, 6-Dimethoxybenzoic acid, Vetec(T
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCOC1=C(C(=CC=C1)OC)C(=O)O
IUPAC Name2,6-dimethoxybenzoic acid
InChIKeyMBIZFBDREVRUHY-UHFFFAOYSA-N
INCHI1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
Isomeric SMILES COC1=C(C(=CC=C1)OC)C(=O)O
WGK Germany 3
RTECS DG8598725
Alternate CAS 1466-76-8
NSC Number 28591
MeSH Entry Terms 2,6-dimethoxybenzoic acid
Molecular Weight 182.17
Beilstein 2212190
Reaxy-Rn 2212190
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212190&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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 Methoxybenzoic acids and derivatives
Direct ParentO-methoxybenzoic acids and derivatives
Alternative Parents Dimethoxybenzenes  Benzoic acids  Phenoxy compounds  Benzoyl derivatives  Anisoles  Alkyl aryl ethers  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents O-methoxybenzoic acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA14 Tclin Carbonic anhydrase 14 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA14 Tclin Carbonic anhydrase XIV (1305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ca7 Carbonic anhydrase VII (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lasiodiplodia theobromae (193 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Diplodia seriata (145 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Botryosphaeria dothidea (71 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityMoisture sensitive.
Melt Point(°C)186-187°C
Molecular Weight182.170 g/mol
XLogP30.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass182.058 Da
Monoisotopic Mass182.058 Da
Topological Polar Surface Area55.800 Ų
Heavy Atom Count13
Formal Charge0
Complexity168.000
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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