Vanillin acetate - ≥98% , CAS No.881-68-5

CAS: 881-68-5 Cat. No.: V102637 Molecular Weight: 194.18 Beilstein Registry Number: 8(4)1771 EC Number: 212-920-1 PubChem CID: 61229
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
NSC25863 | Q27159292 | HY-W009948 | FT-0633072 | STK397377 | W-100415 | 4-Acetoxy-m-anisaldehyde | 4-formyl-2-methoxy phenyl acetate | acetic acid 4-formyl-2-methoxy-phenyl ester | AKOS000120693 | SCHEMBL81717 | CHEBI:86956 | 4-Acetoxy-3-methoxybenzaldehy
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
V102637-5g
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$9.90

$14.90
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25g
V102637-25g
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$18.90

$28.90
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100g
V102637-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$59.90

$89.90
Save $30.00 (33.37%)
500g
V102637-500g
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$193.90

$290.90
Save $97.00 (33.34%)
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Why this grade

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

🌡

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.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
NSC25863 | Q27159292 | HY-W009948 | FT-0633072 | STK397377 | W-100415 | 4-Acetoxy-m-anisaldehyde | 4-formyl-2-methoxy phenyl acetate | acetic acid 4-formyl-2-methoxy-phenyl ester | AKOS000120693 | SCHEMBL81717 | CHEBI:86956 | 4-Acetoxy-3-methoxybenzaldehy
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488183465
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183465
Canonical SmilesCC(=O)OC1=C(C=C(C=C1)C=O)OC
IUPAC Name(4-formyl-2-methoxyphenyl) acetate
InChIKeyPZSJOBKRSVRODF-UHFFFAOYSA-N
INCHI1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
Isomeric SMILES CC(=O)OC1=C(C=C(C=C1)C=O)OC
WGK Germany 3
PubChem CID 61229
Molecular Weight 194.18
Beilstein 8(4)1771
Reaxy-Rn 1963795

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.

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  Methoxybenzenes  Benzoyl derivatives  Benzaldehydes  Anisoles  Alkyl aryl ethers  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenol ester - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 acetate ester - monomethoxybenzene - benzaldehydes
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
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.

7 results found

Lot NumberCertificate TypeDateItem
C2625124Certificate of AnalysisMar 28, 2026 V102637
L2110468Certificate of AnalysisSep 17, 2025 V102637
L2110469Certificate of AnalysisSep 17, 2025 V102637
F2129296Certificate of AnalysisApr 08, 2025 V102637
K1920187Certificate of AnalysisSep 07, 2023 V102637
D2324115Certificate of AnalysisNov 08, 2021 V102637
E2308606Certificate of AnalysisNov 08, 2021 V102637
Chemical and Physical Properties
SensitivityAir sensitive.
Melt Point(°C)77-79°C
Molecular Weight194.180 g/mol
XLogP30.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.058 Da
Monoisotopic Mass194.058 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count14
Formal Charge0
Complexity214.000
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. Jingcheng Zhang, Zeping Liu, Lina Jia, Yu Zhang, Qinhui Xie, Wenyu Zhang, Yunuo Shi, Bo Jiang, Naiqing Zhang.  (2025)  Eliminating electron localization by molecular array induces uniform zinc deposition enabling stable zinc anode.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39914306] [10.1016/j.jcis.2025.01.279]
Solution Calculators
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