3′-Hydroxy-4′-methoxyacetophenone - 10mM in DMSO , CAS No.6100-74-9

CAS: 6100-74-9 Cat. No.: H425051 Molecular Weight: 166.17 EC Number: 626-691-4
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
NSC30050 | NSC-30050 | 1-(3-Hydroxy-4-methoxyphenyl)ethanone # | MFCD00182975 | SY023193 | 1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one (Acetoisovanillone) | STL573297 | 3'-Hydroxy-4'-methoxyacetophenone | 3-Hydroxy-4-methoxyacetophenone | 286G943O33 | 3'-Hyd
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
Size
Status
Price
Qty
1ml
H425051-1ml
1

$58.90

$69.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
NSC30050 | NSC-30050 | 1-(3-Hydroxy-4-methoxyphenyl)ethanone # | MFCD00182975 | SY023193 | 1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one (Acetoisovanillone) | STL573297 | 3'-Hydroxy-4'-methoxyacetophenone | 3-Hydroxy-4-methoxyacetophenone | 286G943O33 | 3'-Hyd
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Pubchem Sid528760818
Canonical SmilesCC(=O)C1=CC(=C(C=C1)OC)O
IUPAC Name1-(3-hydroxy-4-methoxyphenyl)ethanone
InChIKeyYLTGFGDODHXMFB-UHFFFAOYSA-N
INCHI1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
Isomeric SMILES CC(=O)C1=CC(=C(C=C1)OC)O
WGK Germany 3
Molecular Weight 166.17
Reaxy-Rn 2043981
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043981&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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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 Methoxyphenols  Acetophenones  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Methoxyphenol - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Ether - 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 phenols - methoxybenzene
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)88-92°C
Molecular Weight166.170 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.063 Da
Monoisotopic Mass166.063 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity167.000
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
Citations of This Product
References
1. Jinliang Song, Chao Xie, Zhimin Xue, Tiejun Wang.  (2022)  Strong Oxophilicity of Zr Species in Zr4+-Exchanged Montmorillonite Boosted Meerwein–Ponndorf–Verley Reduction of Renewable Carbonyl Compounds.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c02827]
Solution Calculators
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