3-Acetoxybenzaldehyde - ≥98%(GC) , CAS No.34231-78-2

CAS: 34231-78-2 Cat. No.: A136562 Molecular Weight: 164.16 EC Number: 251-890-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
3-Formylphenyl acetate | Acetic Acid 3-Formylphenyl Ester
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
A136562-1g
5

$19.90

$29.90
Save $10.00 (33.44%)
5g
A136562-5g
4

$51.90

$77.90
Save $26.00 (33.38%)
25g
A136562-25g
1

$165.90

$248.90
Save $83.00 (33.35%)
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Why this grade

≥98%(GC) 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.

Specifications

Synonyms
3-Formylphenyl acetate | Acetic Acid 3-Formylphenyl Ester
Specifications & Purity
≥98%(GC)
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid488187584
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187584
Canonical SmilesCC(=O)OC1=CC=CC(=C1)C=O
IUPAC Name(3-formylphenyl) acetate
InChIKeyGVUMZPWBUAGJBP-UHFFFAOYSA-N
INCHI1S/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H3
Isomeric SMILES CC(=O)OC1=CC=CC(=C1)C=O
Molecular Weight 164.16
Reaxy-Rn 1941499
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1941499&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
SuperclassBenzenoids
ClassPhenol esters
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol esters
Alternative Parents Phenoxy compounds  Benzoyl derivatives  Benzaldehydes  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenol ester - Phenoxy compound - Benzaldehyde - Benzoyl - Aryl-aldehyde - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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.

10 results found

Lot NumberCertificate TypeDateItem
D2411131Certificate of AnalysisJan 20, 2026 A136562
D2511029Certificate of AnalysisJan 13, 2025 A136562
D2411130Certificate of AnalysisMar 26, 2024 A136562
D2411132Certificate of AnalysisMar 26, 2024 A136562
G2109128Certificate of AnalysisApr 18, 2023 A136562
G2109127Certificate of AnalysisApr 18, 2023 A136562
G2109129Certificate of AnalysisApr 18, 2023 A136562
B2418130Certificate of AnalysisMay 10, 2021 A136562
C2306596Certificate of AnalysisMay 10, 2021 A136562
C2306597Certificate of AnalysisMay 10, 2021 A136562
Chemical and Physical Properties
SolubilityInsoluble in water.
SensitivityAir sensitive
Refractive Index1.533
Boil Point(°C)138℃/20mm Hg
Molecular Weight164.160 g/mol
XLogP31.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass164.047 Da
Monoisotopic Mass164.047 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity177.000
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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