Vanillylacetone - ≥98% , CAS No.122-48-5

CAS: 122-48-5 Cat. No.: V117527 Peso molecular: 194.23 Beilstein Registry Number: 8(4)1866 Número EC: 204-548-3 PubChem CID: 31211
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone | Zingerone
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
V117527-5g
1
22,90US$
25g
V117527-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
28,90US$
100g
V117527-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
56,90US$
Enter a quantity for the sizes you want to add.
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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.

📋

Quality documents

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

📚

Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Natural occurrence: Cranberry and ginger

Specifications

Sinónimos
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone | Zingerone
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCC(=O)CCC1=CC(=C(C=C1)O)OC
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChIKeyOJYLAHXKWMRDGS-UHFFFAOYSA-N
INCHI1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
Isómeros SMILES CC(=O)CCC1=CC(=C(C=C1)O)OC
WGK Alemania 2
RTECS EL8900000
PubChem CID 31211
Peso molecular 194.23
Beilstein 8(4)1866
Reaxy-Rn 2051099

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
ClasePhenols
SubclassMethoxyphenols
Intermediate Tree Nodes Not available
Direct ParentMethoxyphenols
Alternative Parents Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescripciónThis 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 Zingiber derived compounds
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JUN Tchem Proto-oncogene c-JUN (434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKBIA Tchem NF-kappaB inhibitor alpha (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IMR-32 (1082 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK3 Tchem Mitogen-activated protein kinase; ERK1/ERK2 (651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD2 Tbio Mothers against decapentaplegic homolog 2 (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
B16 (5829 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-12 (7051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

11 results found

Lot NumberCertificate TypeFechaArticulo
G2511097Certificate of AnalysisJul 18, 2025 V117527
E2530069Certificate of AnalysisJun 07, 2025 V117527
D2412366Certificate of AnalysisMar 27, 2024 V117527
D2412368Certificate of AnalysisMar 27, 2024 V117527
K2405059Certificate of AnalysisMar 27, 2024 V117527
G2201705Certificate of AnalysisJul 07, 2022 V117527
F2227015Certificate of AnalysisJun 30, 2022 V117527
D2312228Certificate of AnalysisApr 27, 2022 V117527
E2306662Certificate of AnalysisApr 27, 2022 V117527
F1825141Certificate of AnalysisApr 27, 2022 V117527
F1825140Certificate of AnalysisApr 27, 2022 V117527

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Propiedades químicas y físicas
SolubilidadSoluble in Methanol
SensibilidadHeat Sensitive
Índice de refracción1.541
Punto de inflamación (°C)113 °C
Punto de ebullición (°C)141°C
Punto de fusión (°C)40-41°C
Peso molecular194.230 g/mol
XLogP30.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass194.094 Da
Monoisotopic Mass194.094 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count14
Formal Charge0
Complexity191.000
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
Referencias
1. Chunjing Guo, Wei Zhang, Qiaoyun Zhang, Yanguo Su, Xiaoya Hou, Qiang Chen, Huimin Guo, Ming Kong, Daquan Chen.  (2023)  Novel dual CAFs and tumour cell targeting pH and ROS dual sensitive micelles for targeting delivery of paclitaxel to liver cancer.  Artificial Cells Nanomedicine and Biotechnology,      [PMID:37014123] [10.1080/21691401.2023.2193221]
2. Wenhua Ji, Xiuli Ma, Jinghua Zhang, Hongkai Xie, Feng Liu, Xiao Wang.  (2015)  Preparation of the high purity gingerols from ginger by dummy molecularly imprinted polymers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25704774] [10.1016/j.chroma.2015.02.002]
3. Sirong Huang, Xintong Yao, Boya Cao, Na Zhang, Olugbenga P. Soladoye, Yuhao Zhang, Yu Fu.  (2024)  Encapsulation of zingerone by self-assembling peptides derived from fish viscera: Characterization, interaction and effects on colon epithelial cells.  Food Chemistry-X,      [PMID:38855095] [10.1016/j.fochx.2024.101506]
4. Huimin Xu, Linghua Piao, Xuanri Shen, Xiande Liu.  (2024)  Zingerone enhances the antitumor activity of attenuated Salmonella-mediated cancer immunotherapy by promoting tumor infiltration by host immune cells.  Journal of Functional Foods,      [PMID:] [10.1016/j.jff.2024.106017]
5. Letian Yang, Zhenyu Ma, Xueting Cao, Limei Xu, Xue Ma, Jingyi Zhu, Min Xiao, Xukai Jiang.  (2025)  Molecular mechanism of the substrate promiscuity in GT1 glucosyltransferases: Insights from molecular dynamics simulations and experimental validation.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:41349745] [10.1016/j.ijbiomac.2025.149450]
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