3′-Methylacetophenone - ≥98% , CAS No.585-74-0

CAS: 585-74-0 Cat. No.: M122466 Molecular Weight: 134.18 Beilstein Registry Number: 956637 EC Number: 209-561-8
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Methyl m-tolyl ketone | 3-Acetyltoluene | V3KL17Y68N | 3-METHYLACETOPHENONE | Acetophenone, 3'-methyl- | AKOS009031466 | EN300-20807 | 1-(3-methylphenyl)ethan-1-one | MFCD00008742 | Z104482920 | A19719 | AC-3644 | FT-0616117 | 1-(3-Methylphenyl)ethanone #
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
M122466-5g
3

$18.90

$28.90
Save $10.00 (34.60%)
10g
M122466-10g
1

$22.90

$34.90
Save $12.00 (34.38%)
25g
M122466-25g
2

$48.90

$73.90
Save $25.00 (33.83%)
100g
M122466-100g
2

$162.90

$244.90
Save $82.00 (33.48%)
500g
M122466-500g
1

$410.90

$616.90
Save $206.00 (33.39%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Overview

application:

3'-Methylacetophenone is used in Pharmaceutical Intermediates and in Organic Intermediates.

Specifications

Synonyms
Methyl m-tolyl ketone | 3-Acetyltoluene | V3KL17Y68N | 3-METHYLACETOPHENONE | Acetophenone, 3'-methyl- | AKOS009031466 | EN300-20807 | 1-(3-methylphenyl)ethan-1-one | MFCD00008742 | Z104482920 | A19719 | AC-3644 | FT-0616117 | 1-(3-Methylphenyl)ethanone #
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488181344
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181344
Canonical SmilesCC1=CC(=CC=C1)C(=O)C
IUPAC Name1-(3-methylphenyl)ethanone
InChIKeyFSPSELPMWGWDRY-UHFFFAOYSA-N
INCHI1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
Isomeric SMILES CC1=CC(=CC=C1)C(=O)C
WGK Germany 3
Molecular Weight 134.18
Beilstein 956637
Reaxy-Rn 956637
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956637&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Acetophenones  Benzoyl derivatives  Aryl alkyl ketones  Toluenes  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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.

8 results found

Lot NumberCertificate TypeDateItem
L2121477Certificate of AnalysisOct 11, 2025 M122466
L2121479Certificate of AnalysisOct 11, 2025 M122466
L2121487Certificate of AnalysisOct 11, 2025 M122466
L2121515Certificate of AnalysisOct 11, 2025 M122466
D2117273Certificate of AnalysisFeb 06, 2025 M122466
B2302449Certificate of AnalysisDec 02, 2021 M122466
L2322126Certificate of AnalysisDec 02, 2021 M122466
G2313214Certificate of AnalysisMar 20, 2021 M122466
Chemical and Physical Properties
SolubilityDifficult to mix.
SensitivityAir sensitive;Heat sensitive
Refractive Index1.531
Flash Point(°F)185 °F
Flash Point(°C)85°C(Lit.)
Boil Point(°C)219°C
Melt Point(°C)-9°C
Molecular Weight134.170 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass134.073 Da
Monoisotopic Mass134.073 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity129.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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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