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6-Acetyl-1,1,2,4,4,7-Hexamethyltetralin - ≥98%, high purity , CAS No.1506-02-1

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6-Acetyl-1,1,2,4,4,7-Hexamethyltetralin - ≥98%, high purity , CAS No.1506-02-1

COA

Grade & Purity:

≥98%

Cas Number: 1506-02-1
Molecular Weight: 258.4
PubChem CID: 89440
PubChem SID: 488186552

In stock

Item Number

A302955

Grouped product items
SKU	Size	Availability	Price	Qty
A302955-50g	50g	5	$62.90
A302955-250g	250g	4	$203.90

Basic Description

Synonyms	Tonalide \| 21145-77-7 \| Tonalid \| 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin \| 1506-02-1 \| 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone \| Acetyl hexamethyl tetralin \| Tetralide \| fixolide \| Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-napht
Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
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	Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Tetralin - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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

Associated Targets(Human)

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

Discover Target: DGAT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OR5K1 Tdark Olfactory receptor 5K1 (56 Activities)

Discover Target: OR5K1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488186552
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186552
IUPAC Name	1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
INCHI	InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChIKey	DNRJTBAOUJJKDY-UHFFFAOYSA-N
Smiles	CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
Isomeric SMILES	CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
Alternate CAS	1506-02-1；21145-77-7
Molecular Weight	258.4
Reaxy-Rn	1979987
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1979987&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.

6 results found

Lot Number	Certificate Type	Date	Item
I2130172	Certificate of Analysis	Jul 19, 2024	A302955
I2130194	Certificate of Analysis	Jul 19, 2024	A302955
I2130195	Certificate of Analysis	Jul 19, 2024	A302955
C2308756	Certificate of Analysis	Mar 14, 2023	A302955
A2425085	Certificate of Analysis	May 25, 2021	A302955
E2324154	Certificate of Analysis	May 25, 2021	A302955

Chemical and Physical Properties

Melt Point(°C)	52-57 °C
Molecular Weight	258.399 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	258.198 Da
Monoisotopic Mass	258.198 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	366.000
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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