2,4,5-Trimethylphenol - ≥97% , CAS No.496-78-6

CAS: 496-78-6 Cat. No.: T303807 Molecular Weight: 136.2 EC Number: 207-832-5 PubChem CID: 10335
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
EINECS 207-832-5 | UNII-3PCA9E425C | 4-06-00-03247 (Beilstein Handbook Reference) | SCHEMBL395019 | F87364 | Q27257859 | FT-0691409 | 3PCA9E425C | MFCD00020050 | AKOS000275084 | NSC 38776 | NSC38776 | NSC-38776 | 2,4,5-Trimethylphenol 100 microg/mL in Ace
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
T303807-50mg
2

$17.90

$26.90
Save $9.00 (33.46%)
250mg
T303807-250mg
3

$65.90

$98.90
Save $33.00 (33.37%)
1g
T303807-1g
2

$235.90

$353.90
Save $118.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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
EINECS 207-832-5 | UNII-3PCA9E425C | 4-06-00-03247 (Beilstein Handbook Reference) | SCHEMBL395019 | F87364 | Q27257859 | FT-0691409 | 3PCA9E425C | MFCD00020050 | AKOS000275084 | NSC 38776 | NSC38776 | NSC-38776 | 2, 4, 5-Trimethylphenol 100 microg/mL in Ace
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504751932
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751932
Canonical SmilesCC1=CC(=C(C=C1C)O)C
IUPAC Name2,4,5-trimethylphenol
InChIKeyVXSCPERJHPWROZ-UHFFFAOYSA-N
INCHI1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3
Isomeric SMILES CC1=CC(=C(C=C1C)O)C
PubChem CID 10335
Molecular Weight 136.2

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 ParentPara cresols
Alternative Parents Ortho cresols  Meta cresols  1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-cresol - O-cresol - M-cresol - 1-hydroxy-2-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 para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
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:

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

4 results found

Lot NumberCertificate TypeDateItem
G2207329Certificate of AnalysisApr 02, 2025 T303807
G2207330Certificate of AnalysisApr 02, 2025 T303807
K2101099Certificate of AnalysisAug 19, 2024 T303807
K2101162Certificate of AnalysisAug 19, 2024 T303807
Chemical and Physical Properties
Refractive Index1.535
Flash Point(°C)102.3°C
Boil Point(°C)232°C
Melt Point(°C)72°C
Molecular Weight136.190 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass136.089 Da
Monoisotopic Mass136.089 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count10
Formal Charge0
Complexity111.000
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
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.