α-Ionone (Isomer mixture) - ≥90%(GC)(mixture of isomers) , CAS No.127-41-3

CAS: 127-41-3 Cat. No.: A151316 Summenformel: C13H20O Molekulargewicht: 192.3 EG-Nummer: 204-841-6
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Synonyms
.ALPHA.-IONONE [FHFI] | AI3-16056 | Cyclocitrylideneacetone, alpha- | alpha-Ionone, natural, >=86% | alpha-(E)-ionone | EINECS 238-362-9 | 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- | alpha-Ionon | W-108383 | A889200 | EINECS 250-293-6 |
Storage
Room temperature
Shipped In
Normal
Size
Deutschland (EU)
USA*
Price
Qty
5g
A151316-5g
4 Auf Lager
8,59€
25g
A151316-25g
4 Auf Lager
22,47€
100g
A151316-100g
4 Auf Lager

38,96€

51,98€
Speichern 13,02 € (25.04%)
500g
A151316-500g
Auf Bestellung · 8–12 Wochen

138,75€

182,14€
Speichern 43,39 € (23.82%)
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Why this grade

≥90%(GC)(mixture of isomers) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

Cited in 26 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

α-Ionone is one of the key volatile constituents of the oil from whitefly (Syngonium podophyllum Schott).

Specifications

Synonyme
.ALPHA.-IONONE [FHFI] | AI3-16056 | Cyclocitrylideneacetone, alpha- | alpha-Ionone, natural, >=86% | alpha-(E)-ionone | EINECS 238-362-9 | 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- | alpha-Ionon | W-108383 | A889200 | EINECS 250-293-6 |
Spezifikationen & Reinheit
≥90%(GC)(mixture of isomers)
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥90%(GC)(mixture of isomers)
Namen und Kennungen
Pubchem Sid504763399
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504763399
Kanonisches LächelnCC1=CCCC(C1C=CC(=O)C)(C)C
IUPAC Name(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
InChIKeyUZFLPKAIBPNNCA-BQYQJAHWSA-N
INCHI1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
Isomere SMILES CC1=CCCC(C1/C=C/C(=O)C)(C)C
WGK Deutschland 2
RTECS EN0525000
Molekulargewicht 192.3
Reaxy-Rn 2046084
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046084&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.

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📊 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
SuperclassLipids and lipid-like molecules
KlassePrenol 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
BeschreibungThis compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors enone - methyl ketone - ionone
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OR5K1 Tdark Olfactory receptor 5K1 (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Thrips tabaci (33 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Thrips obscuratus (68 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

14 results found

Lot NumberCertificate TypeDatumArtikel
A2205104Certificate of AnalysisOct 13, 2025 A151316
G2501261Certificate of AnalysisMay 22, 2025 A151316
G2501262Certificate of AnalysisMay 22, 2025 A151316
G2501263Certificate of AnalysisMay 22, 2025 A151316
G2501264Certificate of AnalysisMay 22, 2025 A151316
F2102124Certificate of AnalysisMar 04, 2025 A151316
F2102125Certificate of AnalysisMar 04, 2025 A151316
D2511518Certificate of AnalysisApr 12, 2024 A151316
L1910169Certificate of AnalysisSep 08, 2023 A151316
L2214737Certificate of AnalysisDec 23, 2022 A151316
E2319060Certificate of AnalysisDec 10, 2021 A151316
E2319065Certificate of AnalysisDec 10, 2021 A151316
E2319059Certificate of AnalysisJun 04, 2021 A151316
I2412037Certificate of AnalysisJun 04, 2021 A151316

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Chemische und physikalische Eigenschaften
LöslichkeitSoluble in ethanol fixed oils, propylene glycol. Slightly soluble in alcohol, ether, mineral oi
Empfindlichkeitlight sensitive
Brechungsindex1.50
Flammpunkt (°F)244.4 °F
Flammpunkt (°C)118 °C
Siedepunkt (°C)148 °C/28 mmHg
Molekulargewicht192.300 g/mol
XLogP33.000
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
Complexity282.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
Referenzen
1. Meiqin Li, Zhihui Feng, Fang Wang, Jianxin Chen, Jie Fan, Jieqiong Wang, Zhengquan Liu, Junfeng Yin.  (2023)  Effects of brewing water on the volatile composition of tea infusions.  FOOD CHEMISTRY,      [PMID:37516052] [10.1016/j.foodchem.2023.136971]
2. Xiaomin Zhang, Gaofeng Hu, Chaoyang Xu, Wen Nie, Kezhou Cai, Hongmei Fang, Baocai Xu.  (2023)  Inhibition of benzo[a]pyrene formation in charcoal-grilled pork sausages by ginger and its key compounds.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  103  (6): (2838-2847).  [PMID:36700254] [10.1002/jsfa.12470]
3. Cong Liu, Chao Wang, Tingting Zheng, Miaomiao Zhao, Wanying Gong, Qiaomei Wang, Liang Yan, Wenjie Zhang.  (2022)  Characterization of Key Odor-Active Compounds in Sun-Dried Black Tea by Sensory and Instrumental-Directed Flavor Analysis.  Foods,  11  (12): (1740).  [PMID:35741938] [10.3390/foods11121740]
4. Chao Wang, Juan Li, Ya Zhang, Zhongrong He, Yin Zhang, Xingmin Zhang, Zhuoyue Guo, Jianan Huang, Zhonghua Liu.  (2021)  Effects of electrostatic spray drying on the sensory qualities, aroma profile and microstructural features of instant Pu-erh tea.  FOOD CHEMISTRY,      [PMID:34799127] [10.1016/j.foodchem.2021.131546]
5. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing.  (2021)  Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds.  Nature Communications,  12  (1): (1-12).  [PMID:34376654] [10.1038/s41467-021-25118-0]
6. Liping Du, Chao Wang, Chenxia Zhang, Lijuan Ma, Yongquan Xu, Dongguang Xiao.  (2019)  Characterization of the volatile and sensory profile of instant Pu-erh tea using GC × GC-TOFMS and descriptive sensory analysis.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2019.02.036]
7. Sheng-Ming Xie, Nan Fu, Li Li, Bao-Yan Yuan, Jun-Hui Zhang, Yan-Xia Li, Li-Ming Yuan.  (2018)  Homochiral Metal–Organic Cage for Gas Chromatographic Separations.  ANALYTICAL CHEMISTRY,      [PMID:29989398] [10.1021/acs.analchem.8b01670]
8. Yan-Chen Wang, Peng Li, De-Fu Chi.  (2017)  Electrophysiological and laboratory behavioral responses of a leaf beetle pest of elm, Ambrostoma quadriimpressum, to selected plant volatiles and essential oils.  ENTOMOLOGIA EXPERIMENTALIS ET APPLICATA,  163  (2): (140-149).  [PMID:] [10.1111/eea.12562]
9. Jun-Hui Zhang, Sheng-Ming Xie, Mei Zhang, Min Zi, Pin-Gang He, Li-Ming Yuan.  (2014)  Novel Inorganic Mesoporous Material with Chiral Nematic Structure Derived from Nanocrystalline Cellulose for High-Resolution Gas Chromatographic Separations.  ANALYTICAL CHEMISTRY,      [PMID:25188539] [10.1021/ac502073g]
10. Zhi-Xin Fei, Mei Zhang, Jun-Hui Zhang, Li-Ming Yuan.  (2014)  Chiral metal–organic framework used as stationary phases for capillary electrochromatography.  ANALYTICA CHIMICA ACTA,      [PMID:24856511] [10.1016/j.aca.2014.04.054]
11. 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]
12. Xiao Jia, Hongli Cui, Song Qin, Jingnan Ren, Zhifeng Zhang, Qi An, Nawei Zhang, Jinchu Yang, Yongfeng Yang, Gang Fan, Siyi Pan.  (2024)  Characterizing and decoding the key odor compounds of Spirulina platensis at different processing stages by sensomics.  FOOD CHEMISTRY,      [PMID:39182338] [10.1016/j.foodchem.2024.140944]
13. Jian Ouyang, Ronggang Jiang, Huimin An, Xingchang Ou, Jing Wang, He Xie, Wenjie Fu, Jing Zhang, Hongyu Chen, Qi Liu, Juan Li, Haitao Wen, Ligui Xiong, Jian-an Huang, Zhonghua Liu.  (2025)  Decoding the specific minty-like aroma of ‘Rucheng baimaocha’ (camellia pubescens) black tea.  Food Chemistry-X,      [PMID:39995401] [10.1016/j.fochx.2025.102253]
14. Guo Wei-Wei, Luo Li-Wen, Wang Ding-Zhong, Fu Ying-Jie, Xi Hui, Sun Shi-Hao.  (2024)  Effects of ethyl palmitate on the release of aroma compounds in propanediol–ethanol solution and its mechanisms.  Frontiers in Chemistry,      [PMID:38915902] [10.3389/fchem.2024.1381835]
15. Weiwei Wu, Zhiqiang Zheng, Zhihui Wang, Biyun He, Siqing Du, Wen Zeng, Weijiang Sun.  (2025)  Identification of key aroma compounds contributing to the pleasurable sensory experience of white Peony tea using GC–MS, computational modeling, and sensory evaluation.  FOOD RESEARCH INTERNATIONAL,      [PMID:40263863] [10.1016/j.foodres.2025.116280]
16. Guojian Deng, Lunfang Huang, Wenya Wang, Tianzi Yu, Jingming Ning, Yujie Wang.  (2024)  Mechanism of key volatiles in osmanthus scented green tea on the improvement of its aroma and taste quality.  FOOD CHEMISTRY,      [PMID:39047484] [10.1016/j.foodchem.2024.140560]
17. Xuexue Zheng, He Xie, Wenjie Fu, Chao Wang, Tengfei Hu, Xingchang Ou, Jian'an Huang, Zhonghua Liu, Qin Li.  (2025)  Perceptual interactions of key aroma compounds in Fu brick tea: Odor threshold, sensory, and E-nose analysis.  Current Research in Food Science,      [PMID:40061875] [10.1016/j.crfs.2025.101004]
18. Yujie Wang, Guojian Deng, Lunfang Huang, Jingming Ning.  (2024)  Sensory-directed flavor analysis reveals the improvement in aroma quality of summer green tea by osmanthus scenting.  Food Chemistry-X,      [PMID:39007121] [10.1016/j.fochx.2024.101571]
19. Qi Lin, Cheng Peng, Kunpeng Yu, Yanling Lin, Yongquan Xu, Lijun Li, Hui Ni, Feng Chen.  (2024)  The mining of thermostable β-glucosidase for tea aroma enhancement under brewing conditions.  FOOD CHEMISTRY,      [PMID:39089040] [10.1016/j.foodchem.2024.140624]
20. Yuanyuan Huang, Yu Sun, Arshad Mehmood, Tingting Lu, Xiumin Chen.  (2024)  Unraveling the temporal changes of Maillard reaction products and aroma profile in coffee leaves during hot-air drying.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106055]
21. Dai Binwei, Chen Weixuan, Huang Weihong, Liu Junsheng, Li Bo, He Puming, Grierson Donald, Tu Youying, Wu Yuanyuan.  (2024)  Volatiles profiles and factors affecting absorption of key odorants in Osmanthus black tea.  Food Quality and Safety,      [PMID:] [10.1093/fqsafe/fyae020]
22. Mingming Zhang, Meiqin Li, Fang Wang, Jianxin Chen, Yifan Li, Gensheng Chen, Yuwan Wang, Zhihui Feng, Junfeng Yin.  (2025)  Effect of hydrogen carbonate in brewing water on the aroma of tea infusions.  Food Chemistry-X,      [PMID:40698371] [10.1016/j.fochx.2025.102758]
23. Dianqi Yang, Jiawei Huang, Yufeng Wu, Lijin Jiang, Chenyu Zhang, Zhipeng Qi, Da Wu, Jiale Wang, Xiaoqiang Ma.  (2025)  Microbial Biosynthesis of β-Ionone and Its Hydroxylated Derivative via Enzyme and Metabolic Engineering.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41442486] [10.1021/acs.jafc.5c08549]
24. Wen Li, Mingchun Wen, Lu Li, Xuanrong Huang, Zekai Wang, Chi-Tang Ho, Piaopiao Long, Zisheng Han, Liang Zhang.  (2026)  The interaction of milk protein and black tea aroma compounds: Selectivity, binding mechanism, and theaflavins’ effect.  Food & Function,      [PMID:41738367] [10.1039/D5FO04942C]
25. Hongyu Chen, Ronggang Jiang, Huimin An, Hao Xu, Xingchang Ou, Kuofei Wang, Yuan Chen, Youcang Jiang, Shi Li, Jianan Huang, Zhonghua Liu.  (2026)  Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics.  Food Chemistry-X,      [PMID:41799623] [10.1016/j.fochx.2026.103695]
26. Dong Wang, Xinrui Huang, Yan Liu, Lian He, Xiaoqin Wu, Fan Wu, Liyong Luo, Liang Zeng.  (2026)  Characterization of key aroma compounds contributing to tropical fruity and Citrus notes and the mechanism of characteristic aroma formation in Dali-variety black tea.  FOOD CHEMISTRY,      [PMID:41812449] [10.1016/j.foodchem.2026.148762]
Lösungsrechner
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What is the isomeric composition of this product?
This product is supplied at ≥90%, GC)(mixture of isomers. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 127-41-3, the molecular formula is C13H20O, and the molecular weight is 192.3 g/mol. InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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