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tert-Butylcyclohexane - ≥99.0%(GC), high purity , CAS No.3178-22-1

1 Citations

COA

Grade & Purity:

≥99%(GC)

Cas Number: 3178-22-1
Molecular Weight: 140.27
Beilstein Registry Number: 5(1)20
MDL number: MFCD00001471
PubChem CID: 18508
PubChem SID: 488182482

In stock

Item Number

I135611

Grouped product items
SKU	Size	Availability	Price
I135611-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
I135611-5ml	5ml	10	$10.90
I135611-25ml	25ml	8	$38.90
I135611-100ml	100ml	2	$113.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	1-tert-Butylcyclohexane \| 4-t-butylcyclohexane \| DTXSID80185642 \| InChI=1/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H \| t-butyl cyclohexane \| B0823 \| NSC 73719 \| F17044 \| NSC73719 \| NSC-73719 \| Cyclohexane, tert-butyl- \| Cyclohexane, t-butyl- \| J-018537
Specifications & Purity	≥99%(GC)
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	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

Names and Identifiers

Pubchem Sid	488182482
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182482
IUPAC Name	tert-butylcyclohexane
INCHI	InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKey	XTVMZZBLCLWBPM-UHFFFAOYSA-N
Smiles	CC(C)(C)C1CCCCC1
Isomeric SMILES	CC(C)(C)C1CCCCC1
RTECS	GU9384375
UN Number	3295
Packing Group	III
Molecular Weight	140.27
Beilstein	5(1)20
Reaxy-Rn	1900578
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900578&ln=

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.

9 results found

Lot Number	Certificate Type	Date	Item
D2315416	Certificate of Analysis	Jan 09, 2025	I135611
J22111051	Certificate of Analysis	Jul 12, 2024	I135611
J22111049	Certificate of Analysis	Jul 12, 2024	I135611
J22111050	Certificate of Analysis	Jul 12, 2024	I135611
B2217083	Certificate of Analysis	Dec 14, 2023	I135611
L22071169	Certificate of Analysis	Dec 15, 2022	I135611
A1915066	Certificate of Analysis	Sep 19, 2022	I135611
D2315420	Certificate of Analysis	Sep 19, 2022	I135611
A1915065	Certificate of Analysis	Sep 17, 2022	I135611

Chemical and Physical Properties

Refractive Index	1.45
Flash Point(°C)	42°C(lit.)
Boil Point(°C)	171 °C
Molecular Weight	140.270 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	140.157 Da
Monoisotopic Mass	140.157 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
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

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