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4,7-Dimethyl-5-decyn-4,7-diol - ≥98% , CAS No.126-87-4

4,7-Dimethyl-5-decyn-4,7-diol - ≥98% , CAS No.126-87-4

CAS: 126-87-4 Cat. No.: D665055 Peso molecular: 198.30 PubChem CID: 135969

COA

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4,7-Dimethyl-5-decyn-4,7-diol - ≥98% CAS No(126-87-4) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

4,7-dimethyldec-5-yne-4,7-diol

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

🧪

Why this grade

≥98% 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

Sinónimos

4, 7-dimethyldec-5-yne-4, 7-diol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas	CCCC(C)(C#CC(C)(CCC)O)O
IUPAC Name	4,7-dimethyldec-5-yne-4,7-diol
InChIKey	HCKFFIBKYQSDRD-UHFFFAOYSA-N
INCHI	1S/C12H22O2/c1-5-7-11(3,13)9-10-12(4,14)8-6-2/h13-14H,5-8H2,1-4H3
Isómeros SMILES	CCCC(C)(C#CC(C)(CCC)O)O
PubChem CID	135969
Peso molecular	198.30

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
  - Clase Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Alpha,beta-unsaturated carbonyl compounds
        Level6 Alpha,beta-unsaturated ketones
        Level7 Ynones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent	Ynones
Alternative Parents	Tertiary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ynone - Tertiary alcohol - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound
Descripción	This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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.

2 results found

Lot Number	Certificate Type	Fecha	Articulo
E2420176	Certificate of Analysis	Mar 22, 2024	D665055
E2420177	Certificate of Analysis	Mar 22, 2024	D665055

Propiedades químicas y físicas

Punto de ebullición (°C)	125-127℃/3mm
Punto de fusión (°C)	67-70℃
Peso molecular	198.300 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	198.162 Da
Monoisotopic Mass	198.162 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213.000
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

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