2,6-Dimethylphenol - analytical standard , CAS No.576-26-1

CAS: 576-26-1 Cat. No.: D104340 Formula: C8H10O Molecular Weight: 122.17 Beilstein Registry Number: 6485 EC Number: 209-400-1
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
J-525163 | NCGC00091680-01 | 2,6-Xylenol, 8CI | NCGC00091680-03 | Vic-m-xylenol | Z104473832 | 2,6-Dimethylphenol,(S) | A806014 | Q-200216 | 2,6-Dimethylphenol 100 microg/mL in Methanol | UNII-I8N0RO87OV | 2,6 Dimethylphenol | 2,6-DIMETHYLPHENOL | 2,6-di-
Storage
Protected from light,Room temperature
Shipped In
FedEx DG Service
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Size
USA
Germany (EU)*
Price
Qty
1g
D104340-1g
5 In stock
—
$25.90
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature Ships FedEx DG Service 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.

📚

Literature proof

Cited in 39 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
J-525163 | NCGC00091680-01 | 2,6-Xylenol, 8CI | NCGC00091680-03 | Vic-m-xylenol | Z104473832 | 2,6-Dimethylphenol,(S) | A806014 | Q-200216 | 2,6-Dimethylphenol 100 microg/mL in Methanol | UNII-I8N0RO87OV | 2,6 Dimethylphenol | 2,6-DIMETHYLPHENOL | 2,6-di-
Specifications & Purity
analytical standard
Storage
Protected from light,Room temperature
Shipped In
FedEx DG Service
Grade
Analytical standard
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752105
Canonical Smiles
CC1=C(C(=CC=C1)C)O
IUPAC Name
2,6-dimethylphenol
InChIKey
NXXYKOUNUYWIHA-UHFFFAOYSA-N
INCHI
1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
Isomeric SMILES
CC1=C(C(=CC=C1)C)O
UN Number
2261
Packing Group
II
Molecular Weight
122.17
Beilstein
6485
Reaxy-Rn
1446677
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446677&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassCresols
Intermediate Tree Nodes Not available
Direct ParentOrtho cresols
Alternative Parents m-Xylenes  1-hydroxy-4-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents M-xylene - Xylene - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Xenopus laevis (337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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:

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

3 results found

Lot NumberCertificate TypeDateItem
L2406235Certificate of AnalysisSep 08, 2026 D104340
E2108260Certificate of AnalysisFeb 09, 2023 D104340
G2209121Certificate of AnalysisJul 06, 2022 D104340
Chemical and Physical Properties
SolubilitySoluble in aqueous solutions of hot water, alcohol, ether, chloroform, benzene, and sodium hydroxide.
SensitivityLight sensitive.
Flash Point(°F)186.8 °F
Flash Point(°C)73℃
Boil Point(°C)203°C
Melt Point(°C)43-48℃
Molecular Weight122.160 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass122.073 Da
Monoisotopic Mass122.073 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.600
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
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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