β-Ionone - ≥97% , CAS No.14901-07-6

CAS: 14901-07-6 Cat. No.: I117482 Molecular Weight: 192.3 Beilstein Registry Number: 7167 EC Number: 238-969-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
beta-Jonone | 4-(2,6,6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one | beta-Ionon | beta-Ionone, 96% | DTXSID4021769 | F0451-1336 | NCGC00256534-01 | trans-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one | DTXCID901769 | AM806748 | NCGC00248145-02
Storage
Store at 2-8°C
Shipped In
Wet ice
Size
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25ml
I117482-25ml
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I117482-100ml
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I117482-500ml
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice 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.

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Literature proof

Cited in 35 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
beta-Jonone | 4-(2, 6, 6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one | beta-Ionon | beta-Ionone, 96% | DTXSID4021769 | F0451-1336 | NCGC00256534-01 | trans-4-(2, 6, 6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one | DTXCID901769 | AM806748 | NCGC00248145-02
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid504759646
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504759646
Canonical SmilesCC1=C(C(CCC1)(C)C)C=CC(=O)C
IUPAC Name(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChIKeyPSQYTAPXSHCGMF-BQYQJAHWSA-N
INCHI1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
Isomeric SMILES CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
WGK Germany 2
RTECS EN0500000
Alternate CAS 79-77-6
Molecular Weight 192.3
Beilstein 7167
Reaxy-Rn 1909544
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909544&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassSesquiterpenoids
Intermediate Tree Nodes Not available
Direct ParentSesquiterpenoids
Alternative Parents Enones  Acryloyl compounds  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclofarsesane sesquiterpenoid - Megastigmane sesquiterpenoid - Sesquiterpenoid - Ionone derivative - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors ionone
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CWR22R (2180 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OR5K1 Tdark Olfactory receptor 5K1 (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Thrips tabaci (33 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Thrips obscuratus (68 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.

11 results found

Lot NumberCertificate TypeDateItem
H2603028Certificate of AnalysisAug 06, 2026 I117482
G2511062Certificate of AnalysisJul 15, 2025 I117482
G2431572Certificate of AnalysisJun 14, 2024 I117482
I1509058Certificate of AnalysisJun 06, 2023 I117482
E1823142Certificate of AnalysisApr 11, 2022 I117482
A2612006Certificate of AnalysisMar 15, 2022 I117482
D2215015Certificate of AnalysisMar 15, 2022 I117482
D2215029Certificate of AnalysisMar 15, 2022 I117482
D2215032Certificate of AnalysisMar 15, 2022 I117482
D2215041Certificate of AnalysisMar 15, 2022 I117482
H2430006Certificate of AnalysisMar 15, 2022 I117482

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Chemical and Physical Properties
SolubilitySoluble in water (0.11 mg/mI at 20°C).
SensitivityLight sensitive.
Refractive Index1.519-1.5215
Flash Point(°F)>235.4 °F
Flash Point(°C)122 °C
Boil Point(°C)126-128°C
Molecular Weight192.300 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass192.151 Da
Monoisotopic Mass192.151 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity292.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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19. Xuewei Jia, Yuan Gao, Hui Xi, Chun Cui, Xiao Yang, Baojiang He, Chunping Xu, Mingqi Gao, Tianxiao Li.  (2025)  A flavor imitation method for Osmanthus aroma based on molecular docking screening and odor activity value analysis.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.117697]
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