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2-Acetyl-1-tetralone - 98%, high purity , CAS No.17216-08-9

COA

Grade & Purity:

≥98%

Cas Number: 17216-08-9
Molecular Weight: 188.22
MDL number: MFCD00001689
PubChem CID: 86527
PubChem SID: 504755842

In stock

Item Number

A167877

Grouped product items
SKU	Size	Availability	Price
A167877-1g	1g	2	$19.90
A167877-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
A167877-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$246.90

Basic Description

Synonyms	SCHEMBL599710 \| AO-801/41077198 \| 2-acetyl-3,4-dihydronaphthalen-1(2H)-one \| 2-Acetyl-3,4-dihydro-1(2H)-naphthalenone # \| MFCD00001689 \| ZB1751 \| 2-Acetyl-1,2,3,4-tetrahydronaphthalen-1-one \| FT-0637512 \| 1(2H)-Naphthalenone,2-acetyl-3,4-dihydro- \| 2-Acet
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Tetralins

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Tetralins
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetralins
Alternative Parents	Aryl alkyl ketones Beta-diketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Tetralin - Aryl alkyl ketone - Aryl ketone - 1,3-diketone - 1,3-dicarbonyl compound - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
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	504755842
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755842
IUPAC Name	2-acetyl-3,4-dihydro-2H-naphthalen-1-one
INCHI	InChI=1S/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3
InChIKey	BSELJBOMYPMBNL-UHFFFAOYSA-N
Smiles	CC(=O)C1CCC2=CC=CC=C2C1=O
Isomeric SMILES	CC(=O)C1CCC2=CC=CC=C2C1=O
WGK Germany	3
Molecular Weight	188.22
Reaxy-Rn	1105542
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1105542&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.

4 results found

Lot Number	Certificate Type	Date	Item
D2109067	Certificate of Analysis	Jan 08, 2025	A167877
D2109068	Certificate of Analysis	Jan 08, 2025	A167877
D2109069	Certificate of Analysis	Jan 08, 2025	A167877
C2317399	Certificate of Analysis	Mar 31, 2021	A167877

Chemical and Physical Properties

Flash Point(°F)	221 °F
Flash Point(°C)	105 °C
Molecular Weight	188.220 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	188.084 Da
Monoisotopic Mass	188.084 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	257.000
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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