5-Methyl-2,3-hexanedione - ≥94% , CAS No.13706-86-0

CAS: 13706-86-0 Cat. No.: M102529 Formula: C7H12O2 Peso molecolare: 128.17 Numero EC: 237-241-8
Disponibile su ordine
GRADE & PURITY ≥94%
Synonyms
M0752 | METHYL-2,3-HEXANEDIONE, 5- | EINECS 237-241-8 | Tox21_202802 | 5-Methyl-2,3-hexanedione | FT-0704355 | Acetyl isopentanoyl | Acetyl isovaleryl | 2,3-HEXANEDIONE, 5-METHYL- | 2-Methylhexa-4,5-dione | Methylhexanedione | 4-01-00-03701 (Beilstein Han
Storage
Room temperature
Shipped In
Normal
Size
Germania (EU)
USA*
Price
Qty
1ml
M102529-1ml
Su ordinazione · 8–12 settimane
13,80€
5ml
M102529-5ml
Su ordinazione · 8–12 settimane
55,45€
25ml
M102529-25ml
Su ordinazione · 8–12 settimane
220,32€
Enter a quantity for the sizes you want to add.
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Why this grade

≥94% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
M0752 | METHYL-2,3-HEXANEDIONE, 5- | EINECS 237-241-8 | Tox21_202802 | 5-Methyl-2,3-hexanedione | FT-0704355 | Acetyl isopentanoyl | Acetyl isovaleryl | 2,3-HEXANEDIONE, 5-METHYL- | 2-Methylhexa-4,5-dione | Methylhexanedione | 4-01-00-03701 (Beilstein Han
Specifiche e purezza
≥94%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥94%
Nomi e identificatori
Sorrisi canoniciCC(C)CC(=O)C(=O)C
IUPAC Name5-methylhexane-2,3-dione
InChIKeyPQCLJXVUAWLNSV-UHFFFAOYSA-N
INCHI1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
Isomeri SMILES CC(C)CC(=O)C(=O)C
RTECS MO3200000
Numero UN 1224
Peso molecolare 128.17
Reaxy-Rn 1745751
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745751&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
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentAlpha-diketones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alpha-diketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent 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:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDataOggetto
H2406512Certificate of AnalysisApr 16, 2024 M102529
Proprietà chimiche e fisiche
SensibilitàLight Sensitive,Hygroscopic
Indice di rifrazione1.41
Punto di infiammabilità (°F)26°C
Punto di infiammabilità (°C)26°C
Punto di ebollizione (°C)138°C
Peso molecolare128.169 g/mol
XLogP30.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass128.084 Da
Monoisotopic Mass128.084 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity125.000
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
Citations of This Product
Riferimenti
1. Huimin Shi, Yang Li, Kailei Xu, Jun Yin.  (2023)  Advantages of photo-curable collagen-based cell-laden bioinks compared to methacrylated gelatin (GelMA) in digital light processing (DLP) and extrusion bioprinting.  Materials Today Bio,      [PMID:37766893] [10.1016/j.mtbio.2023.100799]
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