4,5-Dicarboxy-γ-pentadecanolactone - ≥98%(T) , CAS No.469-77-2

Name: 4,5-Dicarboxy-γ-pentadecanolactone - ≥98%(T) , CAS No.469-77-2
SKU: D155402
Availability: InStock

CAS: 469-77-2 Cat. No.: D155402 Formula: C₁₇H₂₈O₆ Peso molecolare: 328.41 Numero EC: 678-107-2

COA

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4,5-Dicarboxy-γ-pentadecanolactone - ≥98%(T) CAS No(469-77-2) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY ≥98%(T)

Synonyms

4,5-dicarboxy-4-pentadecanolide | DTXSID70859380 | SCHEMBL3146152 | 4,5-Dicarboxy-gamma-pentadecanolactone | SMR001830839 | AKOS037515501 | MFCD00059059 | Q15427853 | CCG-267792 | S5127 | D1963 | NCI60_001952 | NSC244387 | NSC-244387 | 2-(1-carboxyundecyl

Storage

Room temperature

Shipped In

Normal

Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

≥98%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

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

Specifications

Sinonimi

Specifiche e purezza

≥98%(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(T)

Nomi e identificatori

Pubchem Sid	488189463
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189463
Sorrisi canonici	CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O
IUPAC Name	2-(1-carboxyundecyl)-5-oxooxolane-2-carboxylic acid
InChIKey	TUXHHVJPGQUPCF-UHFFFAOYSA-N
INCHI	1S/C17H28O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h13H,2-12H2,1H3,(H,19,20)(H,21,22)
Isomeri SMILES	CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O
Peso molecolare	328.41
Reaxy-Rn	313398
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=313398&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Classe Carboxylic acids and derivatives
    - Subclass Tricarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	Carboxylic acids and derivatives
Subclass	Tricarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tricarboxylic acids and derivatives
Alternative Parents	Gamma butyrolactones Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Tricarboxylic acid or derivatives - Gamma butyrolactone - Tetrahydrofuran - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Obiettivi associati (umani)

ACHN (49357 Activities)

Lot Number	Certificate Type	Data	Oggetto
D2307346	Certificate of Analysis	Jun 22, 2022	D155402
G2215350	Certificate of Analysis	Jun 22, 2022	D155402
G2215359	Certificate of Analysis	Jun 22, 2022	D155402

Rotazione specifica [α]	-13° (C=3,EtOH)
Punto di fusione (°C)	145 °C
Peso molecolare	328.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	328.189 Da
Monoisotopic Mass	328.189 Da
Topological Polar Surface Area	101.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	419.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1