2,5-Dimethylhexanedioic acid - ≥97% , CAS No.4454-18-6

CAS: 4454-18-6 Cat. No.: D589151 Formula: C8H14O4 Peso molecolare: 174.19
Disponibile su ordine
GRADE & PURITY ≥97%
Synonyms
NSC5947 | NSC-5947 | 2,5-Dimethyl-adipinsaure | DTXSID10963238 | BS-51789 | NSC 5947 | SCHEMBL5139179 | 2,5-Dimethylhexanedioic acid | NSC 89725 | NSC89725 | NSC-89725 | Hexanedioic acid, 2,5-dimethyl- | AKOS006273474 | 2,5-dimethyladipic acid | D97572
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
★
Size
Germania (EU)
USA*
Price
Qty
50mg
D589151-50mg
Su ordinazione · 8–12 settimane
25,95€
250mg
D589151-250mg
Su ordinazione · 8–12 settimane
82,35€
1g
D589151-1g
Su ordinazione · 8–12 settimane
268,91€
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

Store at 2-8°C,Desiccated 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

Sinonimi
NSC5947 | NSC-5947 | 2,5-Dimethyl-adipinsaure | DTXSID10963238 | BS-51789 | NSC 5947 | SCHEMBL5139179 | 2,5-Dimethylhexanedioic acid | NSC 89725 | NSC89725 | NSC-89725 | Hexanedioic acid, 2,5-dimethyl- | AKOS006273474 | 2,5-dimethyladipic acid | D97572
Specifiche e purezza
≥97%
Condizioni di conservazione di stoccaggio
Store at 2-8°C,Desiccated
Spedito in
Wet ice
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Purezza
≥97%
Nomi e identificatori
Sorrisi canoniciCC(CCC(C)C(=O)O)C(=O)O
IUPAC Name2,5-dimethylhexanedioic acid
InChIKeyDWOXXMGPEQVGNI-UHFFFAOYSA-N
INCHI1S/C8H14O4/c1-5(7(9)10)3-4-6(2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
Isomeri SMILES CC(CCC(C)C(=O)O)C(=O)O
Numero NSC NSC Number': ['89725; 5947
Peso molecolare 174.19
Reaxy-Rn 1724863
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724863&ln=

Documentazione

📋 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
SuperclassLipids and lipid-like molecules
ClasseFatty Acyls
SubclassFatty acids and conjugates
Intermediate Tree Nodes Not available
Direct ParentMedium-chain fatty acids
Alternative Parents Methyl-branched fatty acids  Dicarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Medium-chain fatty acid - Methyl-branched fatty acid - 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
DescrizioneThis compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare174.190 g/mol
XLogP31.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass174.089 Da
Monoisotopic Mass174.089 Da
Topological Polar Surface Area74.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity156.000
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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

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