2,5-Dimethylphenylacetic acid - ≥98% , CAS No.13612-34-5

CAS: 13612-34-5 Cat. No.: D122900 Molecular Weight: 164.21 Beilstein Registry Number: 2502313 EC Number: 237-097-6
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
263EN9T9PC | STK893160 | 2,5-DIMETHYLPHENYLACETIC ACID | DTXSID60159669 | Q-102066 | SCHEMBL37138 | CK2073 | diethyl(4-cyanobenzyl)phosphonate | SY020969 | Dihydrositosterol | FS-3147 | EN300-64150 | 4,5-DICHLORO-1,2,3,6-TETRAHYDROPYRIDAZINE-3,6-DIONE | B
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D122900-5g
9

$9.90

$14.90
Save $5.00 (33.56%)
25g
D122900-25g
7

$19.90

$29.90
Save $10.00 (33.44%)
100g
D122900-100g
1

$53.90

$80.90
Save $27.00 (33.37%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% 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
263EN9T9PC | STK893160 | 2, 5-DIMETHYLPHENYLACETIC ACID | DTXSID60159669 | Q-102066 | SCHEMBL37138 | CK2073 | diethyl(4-cyanobenzyl)phosphonate | SY020969 | Dihydrositosterol | FS-3147 | EN300-64150 | 4, 5-DICHLORO-1, 2, 3, 6-TETRAHYDROPYRIDAZINE-3, 6-DIONE | B
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488186192
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488186192
Canonical SmilesCC1=CC(=C(C=C1)C)CC(=O)O
IUPAC Name2-(2,5-dimethylphenyl)acetic acid
InChIKeyRUSCTNYOPQOXDJ-UHFFFAOYSA-N
INCHI1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
Isomeric SMILES CC1=CC(=C(C=C1)C)CC(=O)O
Molecular Weight 164.21
Beilstein 2502313
Reaxy-Rn 2502313
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2502313&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassXylenes
Intermediate Tree Nodes Not available
Direct Parentp-Xylenes
Alternative Parents Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-xylene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
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.

8 results found

Lot NumberCertificate TypeDateItem
I1803214Certificate of AnalysisApr 15, 2026 D122900
I1803213Certificate of AnalysisApr 15, 2026 D122900
G2412615Certificate of AnalysisApr 27, 2024 D122900
G2412618Certificate of AnalysisApr 27, 2024 D122900
G2412619Certificate of AnalysisApr 27, 2024 D122900
D2303367Certificate of AnalysisMar 13, 2023 D122900
G1503042Certificate of AnalysisMar 13, 2023 D122900
D2303366Certificate of AnalysisJul 11, 2022 D122900
Chemical and Physical Properties
Melt Point(°C)130°C
Molecular Weight164.200 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.084 Da
Monoisotopic Mass164.084 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity165.000
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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