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1,2,3-Trimethylcyclohexane - ≥95%(mixture of isomers) , CAS No.1678-97-3

1,2,3-Trimethylcyclohexane - ≥95%(mixture of isomers) , CAS No.1678-97-3

Name: 1,2,3-Trimethylcyclohexane - ≥95%(mixture of isomers) , CAS No.1678-97-3
SKU: T161697
Availability: InStock

CAS: 1678-97-3 Cat. No.: T161697 Formula: C₉H₁₈ Molecular Weight: 126.24 EC Number: 216-838-7

COA

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1,2,3-Trimethylcyclohexane - ≥95%(mixture of isomers) CAS No(1678-97-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%(mixture of isomers)

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95%(mixture of isomers) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C 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

Synonyms

Specifications & Purity

≥95%(mixture of isomers)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(mixture of isomers)

Names and Identifiers

Pubchem Sid

528753589

Canonical Smiles

CC1CCCC(C1C)C

IUPAC Name

1,2,3-trimethylcyclohexane

InChIKey

DQTVJLHNWPRPPH-UHFFFAOYSA-N

INCHI

1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3

Isomeric SMILES

CC1CCCC(C1C)C

UN Number

3295

Packing Group

Molecular Weight

126.24

Reaxy-Rn

1900461

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 Hydrocarbons
  - Class Saturated hydrocarbons
    - Subclass Cycloalkanes

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Saturated hydrocarbons
Subclass	Cycloalkanes
Intermediate Tree Nodes	Not available
Direct Parent	Cycloalkanes
Alternative Parents	Not available
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cycloalkane - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
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

3D Structure

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.

4 results found

Lot Number	Certificate Type	Date	Item
E2512390	Certificate of Analysis	Apr 17, 2025	T161697
E2512391	Certificate of Analysis	Apr 17, 2025	T161697
E2512392	Certificate of Analysis	Apr 17, 2025	T161697
E2512393	Certificate of Analysis	Apr 17, 2025	T161697

Chemical and Physical Properties

Boil Point(°C)	151°C(lit.)
Molecular Weight	126.240 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	126.141 Da
Monoisotopic Mass	126.141 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	76.000
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

Solution Calculators

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Reviews

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