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Tricyclo[5.2.1.02,6]decan-8-one - >95.0%(GC), high purity , CAS No.13380-94-4

COA

Grade & Purity:

≥95%(GC)

Cas Number: 13380-94-4
Molecular Weight: 150.22
MDL number: MFCD00168034
PubChem CID: 96509
PubChem SID: 488187001

In stock

Item Number

T161471

Grouped product items
SKU	Size	Availability	Price
T161471-5ml	5ml	4	$13.90
T161471-25ml	25ml	2	$52.90
T161471-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$188.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	FT-0621557 \| MFCD00168034 \| Octahydro-4,7-methano-5H-inden-5-one \| Corodane \| GIE06H28OX \| tricyclo[5.2.1.0 (2,6)]decan-8-one \| Tricyclo[5.2.1.0(2,6)]decanone-8 \| octahydro-5H-4,7-methanoinden-5-one \| Tricyclo [5.2.1.02,6] decan-8-one \| Tricyclo(5,2,1,0(2
Specifications & Purity	≥95%(GC)
Shipped In	Normal
Product Description	application： Octahydro-4,7-methano-5H-inden-5-one is a useful synthetic intermediate. It is used as a reagent to synthesize hindered olefins such as diamantanol. It can also be used as a reagent to enhance the glass transition temperature of polymethyl methacrylate (PMMA).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Monoterpenoids
Alternative Parents	Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Norbornane monoterpenoid - Monoterpenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units.
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	488187001
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187001
IUPAC Name	tricyclo[5.2.1.02,6]decan-8-one
INCHI	InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2
InChIKey	OMIDXVJKZCPKEI-UHFFFAOYSA-N
Smiles	C1CC2C(C1)C3CC2CC3=O
Isomeric SMILES	C1CC2C(C1)C3CC2CC3=O
RTECS	PC0350000
PubChem CID	96509
Molecular Weight	150.22
Reaxy-Rn	1907967

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
H2205824	Certificate of Analysis	Jun 29, 2022	T161471
H2205825	Certificate of Analysis	Jun 29, 2022	T161471
H2205823	Certificate of Analysis	Jun 29, 2022	T161471
E2305889	Certificate of Analysis	Sep 28, 2021	T161471

Chemical and Physical Properties

Solubility	Slightly soluble in water
Refractive Index	1.50
Flash Point(°F)	102℃
Flash Point(°C)	102℃
Boil Point(°C)	132°C
Molecular Weight	150.220 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	150.104 Da
Monoisotopic Mass	150.104 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	209.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
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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