1-Octen-3-one - ≥95%(GC) , CAS No.4312-99-6

CAS: 4312-99-6 Cat. No.: O160047 Peso molecular: 126.2 Número EC: 224-327-5
Disponible para pedir
GRADE & PURITY ≥95%(GC)
Synonyms
1-Octen-3-one, 96% | 1-Octen-3-one, analytical standard | D71008 | O0382 | AKOS007930624 | n-pentyl vinyl ketone | Oct-1-en-3-one | FEMA 3515 | STL557123 | ?1-Octen-3-one | 1-Octen-3-one, 50 wt. % in 1-octen-3-ol, stabilized, FG | Octen-3-one, 1 | UNII-7L
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
O160047-1g
5

9,90US$

14,90US$
Guardar 5,00 US$ (33.56%)
5g
O160047-5g
3

28,90US$

43,90US$
Guardar 15,00 US$ (34.17%)
25g
O160047-25g
4

65,90US$

98,90US$
Guardar 33,00 US$ (33.37%)
100g
O160047-100g
1

210,90US$

316,90US$
Guardar 106,00 US$ (33.45%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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 19 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

1-Octen-3-one is a volatile unsaturated ketone that has a strong mushroom-like odour. 1-Octen-3-one is also a flavour component of the Agaricus bisporus mushroom and is used in a variety of food products.

Specifications

Sinónimos
1-Octen-3-one, 96% | 1-Octen-3-one, analytical standard | D71008 | O0382 | AKOS007930624 | n-pentyl vinyl ketone | Oct-1-en-3-one | FEMA 3515 | STL557123 | ?1-Octen-3-one | 1-Octen-3-one, 50 wt. % in 1-octen-3-ol, stabilized, FG | Octen-3-one, 1 | UNII-7L
Especificaciones y pureza
≥95%(GC)
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥95%(GC)
Nombres e identificadores
Pubchem Sid488183484
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183484
Sonrisas canónicasCCCCCC(=O)C=C
IUPAC Nameoct-1-en-3-one
InChIKeyKLTVSWGXIAYTHO-UHFFFAOYSA-N
INCHI1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
Isómeros SMILES CCCCCC(=O)C=C
WGK Alemania 3
Peso molecular 126.2
Reaxy-Rn 1700905
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700905&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct ParentEnones
Alternative Parents Acryloyl compounds  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
External Descriptors Oxygenated hydrocarbons
Estructura 3D
Modelo de Estructura Química Interactiva





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.

14 results found

Lot NumberCertificate TypeFechaArticulo
I2517706Certificate of AnalysisSep 19, 2025 O160047
I2517724Certificate of AnalysisSep 19, 2025 O160047
H2104356Certificate of AnalysisMay 07, 2025 O160047
I2512585Certificate of AnalysisMar 29, 2024 O160047
H1920105Certificate of AnalysisJun 05, 2023 O160047
D23061984Certificate of AnalysisNov 25, 2022 O160047
D23061985Certificate of AnalysisNov 25, 2022 O160047
D23061986Certificate of AnalysisNov 25, 2022 O160047
D23061989Certificate of AnalysisNov 25, 2022 O160047
D23061990Certificate of AnalysisNov 25, 2022 O160047
D23061991Certificate of AnalysisNov 25, 2022 O160047
B2526005Certificate of AnalysisAug 06, 2021 O160047
H2104358Certificate of AnalysisAug 06, 2021 O160047
K2204787Certificate of AnalysisAug 06, 2021 O160047

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Propiedades químicas y físicas
SolubilidadChloroform (Sparingly), Ethyl Acetate (Slightly)
SensibilidadAir sensitive;Heat sensitive
Índice de refracción1.435
Punto de inflamación (°F)95°F
Punto de inflamación (°C)35°C
Punto de ebullición (°C)60°C/16mmHg
Peso molecular126.200 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass126.104 Da
Monoisotopic Mass126.104 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.700
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. Yan Ping Chen, Mengni Wang, Xiaolei Fang, A Liya, Haihua Zhang, Imre Blank, Hanyue Zhu, Yuan Liu.  (2023)  Odorants Identified in Chinese Dry-Cured Ham Contribute to Salty Taste Enhancement.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38156454] [10.1021/acs.jafc.3c05848]
2. Jinlan Nie, Lei Wang, Jiachao Xu, Xin Gao, Simon F.R. Hinkley, Xiaoting Fu.  (2023)  Influence of red yeast rice extract fermentation on fucoidan profiles, inorganic elements and flavor properties of the kelp Saccharina japonica.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2023.115281]
3. Changbo Peng, Yimao Zhang, Xiaoqing Ye, Yuhui Zheng, Yu Chen, Xiaoqing Mei, Zhenming Che, Min Xu, Hongbin Lin, Jie Zhao, Qi Zhu, Wenwu Ding.  (2023)  Physicochemical properties and aroma characteristics of broad bean koji produced by disk starter propagation technology.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105643]
4. Yan Ping Chen, Wenqian Li, Yashu Yu, Mengni Wang, Imre Blank, Yin Zhang, Yuan Liu.  (2023)  Elucidation of the Impact of Steaming on the Key Odorants of Jinhua Dry-Cured Ham Using the Sensomics Approach.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36930805] [10.1021/acs.jafc.2c08423]
5. Li Jing, Tang Chaohua, Yang Youyou, Hu Ying, Zhao Qingyu, Ma Qing, Yue Xiangpeng, Li Fadi, Zhang Junmin.  (2023)  Characterization of meat quality traits, fatty acids and volatile compounds in Hu and Tan sheep.  Frontiers in Nutrition,      [PMID:36866058] [10.3389/fnut.2023.1072159]
6. Youyou Yang, Jing Li, Jiangtao Xing, Weihai Xing, Chaohua Tang, Zhenghua Rao, Junmin Zhang.  (2022)  Untargeted Profiling and Differentiation of Volatiles in Varieties of Meat Using GC Orbitrap MS.  Foods,  11  (24): (3997).  [PMID:36553738] [10.3390/foods11243997]
7. Jinlan Nie, Xiaoting Fu, Lei Wang, Jiachao Xu, Xin Gao.  (2022)  Impact of Monascus purpureus fermentation on antioxidant activity, free amino acid profiles and flavor properties of kelp (Saccharina japonica).  FOOD CHEMISTRY,      [PMID:36063678] [10.1016/j.foodchem.2022.133990]
8. Yuanyuan Liu, Cheng Yang, Qun Wang, Jian Zhang, Lianfu Zhang.  (2022)  Identification and confirmation of key compounds causing cooked off-flavor in heat-treated tomato juice.  JOURNAL OF FOOD SCIENCE,  87  (6): (2515-2526).  [PMID:35590478] [10.1111/1750-3841.16168]
9. Jing Li, Youyou Yang, Chaohua Tang, Shengnan Yue, Qingyu Zhao, Fadi Li, Junmin Zhang.  (2022)  Changes in lipids and aroma compounds in intramuscular fat from Hu sheep.  FOOD CHEMISTRY,      [PMID:35413762] [10.1016/j.foodchem.2022.132611]
10. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai.  (2025)  Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107374]
11. Longzhu Zhou, Yimeng Ren, Yujie Shi, Shijie Fan, Liyuan Zhao, Miaomiao Dong, Jing Li, Youyou Yang, Yanan Yu, Qingyu Zhao, Junmin Zhang, Chaohua Tang.  (2024)  Comprehensive foodomics analysis reveals key lipids affect aroma generation in beef.  FOOD CHEMISTRY,      [PMID:39186890] [10.1016/j.foodchem.2024.140954]
12. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]
13. Longzhu Zhou, Yimeng Ren, Yujie Shi, Liyuan Zhao, Huihui Tian, Xiaohui Feng, Jing Li, Youyou Yang, Weihai Xing, Yanan Yu, Qingyu Zhao, Junmin Zhang, Chaohua Tang.  (2025)  Investigation on the pro-aroma generation effects of fatty acids in beef via thermal oxidative models.  Food Chemistry-X,      [PMID:40083855] [10.1016/j.fochx.2025.102291]
14. Youyou Yang, Dapeng Liu, Weihai Xing, Chaohua Tang, Xiaohui Feng, Junmin Zhang.  (2024)  Simulating fatty acid autoxidation and exploring the related volatiles formation mechanism.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.117083]
15. Meng Tao, Wenli Guo, Jin Liang, Zhengquan Liu.  (2024)  Unraveling the key cooked off-flavor compounds in thermally sterilized green tea beverages, and masking effect of tea raw material baking.  FOOD CHEMISTRY,      [PMID:39423534] [10.1016/j.foodchem.2024.141671]
16. Yue Wang, Jianing Li, Tingting Zhu, Yiran Li, Jinyu Yang, Tingting Ma, Yulin Fang, Xiangyu Sun.  (2025)  Unveiling sub-regional aroma differences in China's Ningxia region: Characterization of key aroma profiles and chemical foundations via sensomics and RATA.  FOOD CHEMISTRY,      [PMID:41045857] [10.1016/j.foodchem.2025.146557]
17. Pingyang Li, Yiyu Yin, Shijie Fan, Longzhu Zhou, Huihui Tian, Lupei Zhang, Jing Li, Kehan Ma, Junwei Hu, Yanan Yu, Qingyu Zhao, Youyou Yang, Yahui Wang, Ruiqi Peng, Yanxiang Zhang, Xuemei Gao, Yuchang Qin, Junmin Zhang, Chaohua Tang.  (2025)  Multi-omics Analysis of Lipids and Aroma Compounds in Beef under Grain-fed and Grass-fed Production Methods.  Current Research in Food Science,      [PMID:41140574] [10.1016/j.crfs.2025.101216]
18. Jing Li, Huihui Tian, Miaomiao Dong, Yimeng Ren, Longzhu Zhou, Yujie Shi, Qingyu Zhao, Chaohua Tang, Junmin Zhang, Yueyu Bai.  (2026)  Elucidating key lipids driving aroma differences and potential formation pathways in marbled beef with interindividual lipid variations.  FOOD CHEMISTRY,      [PMID:41797043] [10.1016/j.foodchem.2026.148641]
19. Mengdi Chen, Jianing Ye, Dong Wang, Buyu Liu, Mingqin Li, Ting Li, Xinxia Zhang, Li Wang.  (2026)  Interaction of rice proteins with flavor compounds: multi-spectroscopic insights and multimodal binding analysis.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.149694]
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