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2,5-Hexanedione - analytical standard, ≥99.5%(GC) , CAS No.110-13-4

2,5-Hexanedione - analytical standard, ≥99.5%(GC) , CAS No.110-13-4

Name: 2,5-Hexanedione - analytical standard, ≥99.5%(GC) , CAS No.110-13-4
SKU: H106699
Availability: InStock

CAS: 110-13-4 Cat. No.: H106699 Formula: C₆H₁₀O₂ Molecular Weight: 114.14 Beilstein Registry Number: 506525 EC Number: 203-738-3

18 Citations COA

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2,5-Hexanedione - analytical standard, ≥99.5%(GC) CAS No(110-13-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Analytical standard ? ≥99.5%(GC)

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product Solution Calculators Reviews

🧪

Why this grade

analytical standard, ≥99.5%(GC) Analytical standard 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 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

Pubchem Sid

528755593

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755593

Canonical Smiles

CC(=O)CCC(=O)C

IUPAC Name

hexane-2,5-dione

InChIKey

OJVAMHKKJGICOG-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

Isomeric SMILES

CC(=O)CCC(=O)C

WGK Germany

RTECS

MO3150000

UN Number

1224

Packing Group

Molecular Weight

114.14

Beilstein

506525

Reaxy-Rn

506525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506525&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
External Descriptors	Oxygenated hydrocarbons
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

3D Structure

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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.

1 results found

Lot Number	Certificate Type	Date	Item
H1305014	Certificate of Analysis	Jul 07, 2026	H106699

Chemical and Physical Properties

Solubility	Easily soluble in water and most organic solvents.
x_refractive_index	1.425
x_flash_point_drop_fahrenheit	174.2 ℉
x_flash_point_drop_centigrade	79 ℃
x_boil_point_char	191°C
x_melt_point_char	-6--5°C
Molecular Weight	114.140 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068 Da
Monoisotopic Mass	114.068 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	91.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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Reviews

📚 Citations by Application

Organic synthesis — reaction medium18

Extraction & workup solvent7

Industrial & non-pharma application4

Cross-coupling reactions6

Drug / compound screening2

Electrochemistry & battery electrolyte1

Polymer synthesis & polymerization1

Chromatography (HPLC / GC / TLC)1

Other applications3

View all 18 citations →

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