Vanillin - AR, ≥99% , CAS No.121-33-5

Name: Vanillin - AR, ≥99% , CAS No.121-33-5
SKU: V100115
Availability: InStock

CAS: 121-33-5 Cat. No.: V100115 Formula: C₈H₈O₃ Molecular Weight: 152.15 Beilstein Registry Number: 472792 EC Number: 204-465-2 PubChem CID: 1183

429 Citations COA

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Vanillin - AR, ≥99% CAS No(121-33-5) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY AR ? ≥99%

Synonyms

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product Solution Calculators Reviews

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Why this grade

AR, ≥99% AR for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

Cited in 429 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Vanillin is an aromatic compound, and is used for flavoring foods. It is has biogenetic relationship to phenylpropanoid pathway. It is mostly used in foods, beverages, perfumes and pharmaceuticals An intermediate and analytical reagent.

Specifications

Synonyms

Specifications & Purity

AR, ≥99%

Biochemical and Physiological Mechanisms

Selective TRPV 1 agonist. L-DOPA precursor. Enhances TRAIL-induced apoptosis in cancer cells through inhibition of NF-κB activation. Shows neuroprotective effects in vivo.

Storage

Argon charged,Room temperature

Shipped In

Normal

Grade

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

Pubchem Sid

508817117

Canonical Smiles

COC1=C(C=CC(=C1)C=O)O

IUPAC Name

4-hydroxy-3-methoxybenzaldehyde

InChIKey

MWOOGOJBHIARFG-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)O

WGK Germany

RTECS

YW5775000

PubChem CID

1183

Molecular Weight

152.15

Beilstein

472792

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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Methoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Methoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	Methoxyphenols
Alternative Parents	Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors	a small molecule
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

TRIM24 Tchem Transcription intermediary factor 1-alpha (2 Activities)

Discover Target: TRIM24

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (2 Activities)

Discover Target: TRIM33

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)

Discover Target: ABAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

Discover Target: CACNA1C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH5A1 Tclin Succinate semialdehyde dehydrogenase (19 Activities)

Discover Target: ALDH5A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKDC Tchem DNA-dependent protein kinase (1929 Activities)

Discover Target: PRKDC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHN (49357 Activities)

Lot Number	Certificate Type	Date	Item
E2317889	Certificate of Analysis	Oct 09, 2026	V100115
E2317688	Certificate of Analysis	Oct 09, 2026	V100115
F2612381	Certificate of Analysis	May 20, 2026	V100115
F2612403	Certificate of Analysis	May 20, 2026	V100115
F2612409	Certificate of Analysis	May 20, 2026	V100115
F2612422	Certificate of Analysis	May 20, 2026	V100115
D2627107	Certificate of Analysis	May 13, 2026	V100115
L2525585	Certificate of Analysis	Dec 13, 2025	V100115
L2525508	Certificate of Analysis	Dec 13, 2025	V100115
L2525501	Certificate of Analysis	Dec 13, 2025	V100115
L2525500	Certificate of Analysis	Dec 13, 2025	V100115
A2424028	Certificate of Analysis	Oct 13, 2025	V100115
C2519657	Certificate of Analysis	Mar 06, 2025	V100115
J2516086	Certificate of Analysis	Mar 06, 2025	V100115
J2517225	Certificate of Analysis	Mar 06, 2025	V100115
C2519648	Certificate of Analysis	Mar 06, 2025	V100115
C2519655	Certificate of Analysis	Mar 06, 2025	V100115
K2504123	Certificate of Analysis	Mar 06, 2025	V100115
C2519665	Certificate of Analysis	Mar 06, 2025	V100115
C2519656	Certificate of Analysis	Mar 06, 2025	V100115
L2216766	Certificate of Analysis	Sep 20, 2024	V100115
L2217051	Certificate of Analysis	Sep 20, 2024	V100115
K2426214	Certificate of Analysis	Jun 03, 2024	V100115
F2420326	Certificate of Analysis	Jun 03, 2024	V100115
F2420334	Certificate of Analysis	Jun 03, 2024	V100115
F2420336	Certificate of Analysis	Jun 03, 2024	V100115
F2204915	Certificate of Analysis	Mar 21, 2024	V100115
F2204758	Certificate of Analysis	Mar 21, 2024	V100115
F2204718	Certificate of Analysis	Mar 21, 2024	V100115
F2204717	Certificate of Analysis	Mar 21, 2024	V100115
B2210460	Certificate of Analysis	Nov 07, 2023	V100115
B2210473	Certificate of Analysis	Nov 07, 2023	V100115
E2317687	Certificate of Analysis	Apr 20, 2023	V100115
E2317885	Certificate of Analysis	Apr 20, 2023	V100115
H2407076	Certificate of Analysis	Apr 20, 2023	V100115
D2417044	Certificate of Analysis	Sep 29, 2022	V100115
L2216769	Certificate of Analysis	Sep 29, 2022	V100115
L2216795	Certificate of Analysis	Sep 29, 2022	V100115
G2305172	Certificate of Analysis	Sep 29, 2022	V100115
D2328056	Certificate of Analysis	Mar 18, 2022	V100115
B2210576	Certificate of Analysis	Dec 14, 2021	V100115
B2210459	Certificate of Analysis	Dec 14, 2021	V100115

Solubility	Soluble in water, diethyl ether, acetone, methanol, benzene, petroleum ether, chloroform, carbon disulfide, glacial acetic acid, pyridine and in aqueous solutions of alkali hydroxides.
Sensitivity	Light,Air,Moisture Sensitive
Flash Point(°F)	307°F
Flash Point(°C)	153°C
Boil Point(°C)	170 °C/15 mmHg
Melt Point(°C)	81-83°C
Molecular Weight	152.150 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047 Da
Monoisotopic Mass	152.047 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Vanillin - AR, ≥99% , CAS No.121-33-5

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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