2,3-Dimethylsuccinic acid - ≥98% , CAS No.13545-04-5

CAS: 13545-04-5 Cat. No.: D167070 Molecular Weight: 146.14 Beilstein Registry Number: 1723930 EC Number: 236-915-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
InChI=1/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10 | FT-0716862 | NSC 400523 | Succinic acid, 2,3-dimethyl- | .alpha.,.beta.-Dimethylsuccinic acid | 2,3-Dimethylsuccinic acid | EINECS 236-915-9 | Succinic acid,3-dimethyl-, meso- | 2,3-dimeth
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D167070-1g
10

$139.90

$209.90
Save $70.00 (33.35%)
5g
D167070-5g
3

$568.90

$853.90
Save $285.00 (33.38%)
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🧪

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
InChI=1/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H, 1-2H3, (H, 7, 8)(H, 9, 10 | FT-0716862 | NSC 400523 | Succinic acid, 2, 3-dimethyl- | .alpha., .beta.-Dimethylsuccinic acid | 2, 3-Dimethylsuccinic acid | EINECS 236-915-9 | Succinic acid, 3-dimethyl-, meso- | 2, 3-dimeth
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488181448
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181448
Canonical SmilesCC(C(C)C(=O)O)C(=O)O
IUPAC Name2,3-dimethylbutanedioic acid
InChIKeyKLZYRCVPDWTZLH-UHFFFAOYSA-N
INCHI1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
Isomeric SMILES CC(C(C)C(=O)O)C(=O)O
WGK Germany 3
Molecular Weight 146.14
Beilstein 1723930
Reaxy-Rn 1723928
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723928&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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acids and conjugates
Intermediate Tree Nodes Branched fatty acids
Direct ParentMethyl-branched fatty acids
Alternative Parents Dicarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
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
H2421208Certificate of AnalysisAug 10, 2024 D167070
H2421209Certificate of AnalysisAug 10, 2024 D167070
J2225315Certificate of AnalysisAug 25, 2022 D167070
J2225316Certificate of AnalysisAug 25, 2022 D167070
Chemical and Physical Properties
Molecular Weight146.140 g/mol
XLogP30.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass146.058 Da
Monoisotopic Mass146.058 Da
Topological Polar Surface Area74.600 Ų
Heavy Atom Count10
Formal Charge0
Complexity134.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
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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