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1,1,3-Trimethylcyclohexane - 98%, high purity , CAS No.3073-66-3

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 3073-66-3
Molecular Weight: 126.24
Beilstein Registry Number: 5(4)137
MDL number: MFCD00039462
PubChem CID: 18309

In stock

Item Number

T161714

Grouped product items
SKU	Size	Availability	Price
T161714-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
T161714-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$236.90
T161714-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,064.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS015906312 \| UNII-L13QEP2K04 \| L13QEP2K04 \| 1,1,3-TRIMETHYLCYCLOHEXANE \| 1,1,3-trimethyl-cyclohexane \| FT-0634638 \| CS-0450794 \| LMFA11000633 \| WLN: L6TJ A1 A1 C1 \| Cyclohexane, 1,1,3-trimethyl- \| MFCD00039462 \| NSC 73965 \| 1,3-Trimethylcyclohexane \| B
Specifications & Purity	≥98%
Shipped In	Normal

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	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

Names and Identifiers

IUPAC Name	1,1,3-trimethylcyclohexane
INCHI	InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3
InChIKey	PYOLJOJPIPCRDP-UHFFFAOYSA-N
Smiles	CC1CCCC(C1)(C)C
Isomeric SMILES	CC1CCCC(C1)(C)C
RTECS	GV7650000
PubChem CID	18309
Molecular Weight	126.24
Beilstein	5(4)137
Reaxy-Rn	5725815

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.43
Flash Point(°F)	18°C(lit.)
Flash Point(°C)	18°C(lit.)
Boil Point(°C)	138°C
Molecular Weight	126.240 g/mol
XLogP3	4.100
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	92.200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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

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