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3,3,5-Trimethylcyclohexanone - >98.0%(GC), high purity , CAS No.873-94-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 873-94-9
Molecular Weight: 140.23
Beilstein Registry Number: 507452
MDL number: MFCD00019466
PubChem CID: 13398
PubChem SID: 488181845

In stock

Item Number

T161473

Grouped product items
SKU	Size	Availability	Price
T161473-25ml	25ml	4	$15.90
T161473-100ml	100ml	5	$54.90
T161473-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$246.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	EC 212-855-9 \| AKOS016844138 \| STL146504 \| EN300-19037 \| FT-0614017 \| 3,5,5-Trimethylcyclohexanone \| SCHEMBL24862 \| 3,5,5-trimethyl cyclohexanone \| 3.3.5-Trimethyl cyclohexanone \| AKOS000119271 \| NCGC00256179-01 \| VS-02938 \| EINECS 212-855-9 \| (+/-)-DIHYD
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
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	488181845
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181845
IUPAC Name	3,3,5-trimethylcyclohexan-1-one
INCHI	InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
InChIKey	POSWICCRDBKBMH-UHFFFAOYSA-N
Smiles	CC1CC(=O)CC(C1)(C)C
Isomeric SMILES	CC1CC(=O)CC(C1)(C)C
WGK Germany	1
RTECS	GW2185000
PubChem CID	13398
Molecular Weight	140.23
Beilstein	507452
Reaxy-Rn	507452

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
L1811062	Certificate of Analysis	Sep 21, 2022	T161473
I2205455	Certificate of Analysis	Jun 18, 2022	T161473
I2205454	Certificate of Analysis	Jun 18, 2022	T161473
B2317304	Certificate of Analysis	Jun 18, 2022	T161473
I2205240	Certificate of Analysis	Jun 18, 2022	T161473
I2203452	Certificate of Analysis	Jun 18, 2022	T161473
B2317294	Certificate of Analysis	Jun 18, 2022	T161473
B2221033	Certificate of Analysis	Jan 19, 2022	T161473
B2221034	Certificate of Analysis	Jan 19, 2022	T161473

Chemical and Physical Properties

Refractive Index	1.445
Flash Point(°F)	150.8 °F
Flash Point(°C)	68°C(lit.)
Boil Point(°C)	188-192 °C (lit.)
Melt Point(°C)	−10 °C (lit.)
Molecular Weight	140.220 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	140.12 Da
Monoisotopic Mass	140.12 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147.000
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

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