Vanillylacetone - ≥97%, flavors and fragrances , CAS No.122-48-5

CAS: 122-48-5 Cat. No.: V117528 Molecular Weight: 194.23 Beilstein Registry Number: 8(4)1866 EC Number: 204-548-3 PubChem CID: 31211
AVAILABLE TO ORDER
GRADE & PURITY ≥97% flavors and fragrances
Synonyms
(0)-Paradol | EN300-1721864 | HMS3651E22 | Vanillyl acetone | SCHEMBL119051 | EINECS 204-548-3 | Tox21_302493 | ZINGERONE | Zingiberone | SY017980 | AS-65368 | UNII-4MMW850892 | Vanillylacetone, >=98%, natural, FG | [0]Paradol | [0]-Paradol | DB15589 | 4-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
V117528-5g
2

$32.90

$49.90
Save $17.00 (34.07%)
25g
V117528-25g
7

$74.90

$112.90
Save $38.00 (33.66%)
100g
V117528-100g
3

$167.90

$251.90
Save $84.00 (33.35%)
500g
V117528-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$629.90

$944.90
Save $315.00 (33.34%)
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Why this grade

≥97%, flavors and fragrances 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.

Specifications

Synonyms
(0)-Paradol | EN300-1721864 | HMS3651E22 | Vanillyl acetone | SCHEMBL119051 | EINECS 204-548-3 | Tox21_302493 | ZINGERONE | Zingiberone | SY017980 | AS-65368 | UNII-4MMW850892 | Vanillylacetone, >=98%, natural, FG | [0]Paradol | [0]-Paradol | DB15589 | 4-
Specifications & Purity
≥97%, flavors and fragrances
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488183132
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183132
Canonical SmilesCC(=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
Isomeric SMILES CC(=O)CCC1=CC(=C(C=C1)O)OC
WGK Germany 2
RTECS EL8900000
PubChem CID 31211
Molecular Weight 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
ClassPhenols
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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
Associated Targets(non-human)
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
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
F1825107Certificate of AnalysisJan 27, 2026 V117528
I2017230Certificate of AnalysisJul 16, 2024 V117528
D2412357Certificate of AnalysisApr 23, 2024 V117528
D2412362Certificate of AnalysisApr 23, 2024 V117528
D2412364Certificate of AnalysisApr 23, 2024 V117528
C2408124Certificate of AnalysisMar 21, 2024 V117528
E2308616Certificate of AnalysisApr 27, 2022 V117528
Chemical and Physical Properties
Refractive Index1.541
Flash Point(°C)113 °C
Boil Point(°C)141°C
Melt Point(°C)40-41°C
Molecular Weight194.230 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
References
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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