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Isophorone Oxide - >97.0%(GC), high purity , CAS No.10276-21-8

COA

Grade & Purity:

≥97%(GC)

Cas Number: 10276-21-8
Molecular Weight: 154.21
MDL number: MFCD00085465
PubChem CID: 25121
PubChem SID: 488182950

In stock

Item Number

I157708

Grouped product items
SKU	Size	Availability	Price
I157708-5g	5g	4	$49.90
I157708-25g	25g	3	$145.90
I157708-100g	100g	2	$523.90
I157708-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,354.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID00908032 \| EN300-7405450 \| 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-5-one \| NSC 63367 \| 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one \| 2,3-Epoxy-3,5,5-trimethylcyclohexanone \| 7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl- \| Isophorone oxide
Specifications & Purity	≥97%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxepanes
Alternative Parents	Ketones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oxepane - Ketone - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
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	488182950
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182950
IUPAC Name	4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
INCHI	InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3
InChIKey	ROTNQFPVXVZSRL-UHFFFAOYSA-N
Smiles	CC1(CC(=O)C2C(C1)(O2)C)C
Isomeric SMILES	CC1(CC(=O)C2C(C1)(O2)C)C
Molecular Weight	154.21
Reaxy-Rn	120000
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120000&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.

10 results found

Lot Number	Certificate Type	Date	Item
H2020183	Certificate of Analysis	Jun 15, 2024	I157708
B2327691	Certificate of Analysis	Sep 24, 2022	I157708
B2327685	Certificate of Analysis	Sep 24, 2022	I157708
B2327694	Certificate of Analysis	Sep 24, 2022	I157708
B2327697	Certificate of Analysis	Sep 24, 2022	I157708
B2327690	Certificate of Analysis	Sep 24, 2022	I157708
B2327688	Certificate of Analysis	Sep 24, 2022	I157708
B2327684	Certificate of Analysis	Sep 24, 2022	I157708
F2229116	Certificate of Analysis	Jul 01, 2022	I157708
F2229115	Certificate of Analysis	Jul 01, 2022	I157708

Chemical and Physical Properties

Refractive Index	1.45
Flash Point(°F)	83°C(lit.)
Flash Point(°C)	83°C
Boil Point(°C)	80°C/8mmHg
Molecular Weight	154.210 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	154.099 Da
Monoisotopic Mass	154.099 Da
Topological Polar Surface Area	29.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	220.000
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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