o-Cresol-d3 - ≥98 atom% D,≥95% , CAS No.70837-27-3

CAS: 70837-27-3 Cat. No.: O693307 Molecular Weight: 111.16
AVAILABLE TO ORDER
GRADE & PURITY ≥98 atom% D,≥95%
Synonyms
Phenol | 2-(methyl-d3)- (9CI, ACI) | 2-(Methyl-d3)phenol (ACI) | o-Cresol-d3 (methyl-d3) | 2-Methylphenol-D3 (methyl-D3)
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
O693307-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$174.90
50mg
O693307-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98 atom% D,≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
Phenol | 2-(methyl-d3)- (9CI, ACI) | 2-(Methyl-d3)phenol (ACI) | o-Cresol-d3 (methyl-d3) | 2-Methylphenol-D3 (methyl-D3)
Specifications & Purity
≥98 atom% D, ≥95%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98 atom% D, ≥95%
Product Properties
ALogP2
Names and Identifiers
Canonical SmilesCC1=CC=CC=C1O
IUPAC Name2-methylphenol
InChIKeyQWVGKYWNOKOFNN-UHFFFAOYSA-N
INCHI1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
Isomeric SMILES CC1=CC=CC=C1O
Alternate CAS 95-48-7(unlabeled)
Molecular Weight 111.16
Reaxy-Rn 506917
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506917&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 Toluenes  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 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 a methylphenol
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
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U-87 MG (3946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Skin (286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 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.

2 results found

Lot NumberCertificate TypeDateItem
K2519574Certificate of AnalysisSep 24, 2025 O693307
K2519577Certificate of AnalysisSep 24, 2025 O693307
Chemical and Physical Properties
Molecular Weight108.140 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass108.058 Da
Monoisotopic Mass108.058 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.800
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
Reviews

Customer Reviews

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