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

CAS: 17216-08-9 Cat. No.: A167877 Molecular Weight: 188.22
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
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
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
1g
A167877-1g
1
$38.90
5g
A167877-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$152.90
25g
A167877-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$536.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504755842
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504755842
Canonical SmilesCC(=O)C1CCC2=CC=CC=C2C1=O
IUPAC Name2-acetyl-3,4-dihydro-2H-naphthalen-1-one
InChIKeyBSELJBOMYPMBNL-UHFFFAOYSA-N
INCHI1S/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassTetralins
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetralins
Alternative Parents Aryl alkyl ketones  Beta-diketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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 NumberCertificate TypeDateItem
D2109067Certificate of AnalysisJan 08, 2025 A167877
D2109068Certificate of AnalysisJan 08, 2025 A167877
D2109069Certificate of AnalysisJan 08, 2025 A167877
C2317399Certificate of AnalysisMar 31, 2021 A167877
Chemical and Physical Properties
Flash Point(°F)221 °F
Flash Point(°C)105 °C
Molecular Weight188.220 g/mol
XLogP32.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass188.084 Da
Monoisotopic Mass188.084 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity257.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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