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2,5-Hexanedione - for synthesis, high purity , CAS No.110-13-4

15 Citations

for synthesis

CAS#: 110-13-4
Molecular Weight: 114.14
Beilstein Registry Number: 506525
EC Number: 203-738-3
PubChem CID: 8035

Item Number

H431421

Grouped product items
SKU	Size	Availability	Price	Qty
H431421-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$147.90
H431421-250ml	250ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90

Basic Description

Synonyms	2,5-Hexadione \| 2,5-Dioxohexane \| alpha,beta-Diacetylethane \| A802149 \| Hexanedione-(2,5) \| BBL027731 \| InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H \| H0101 \| hexan-2,5-dione \| CS-D1203 \| EN300-19144 \| EINECS 203-738-3 \| LMFA12000081 \| NCGC00258172-01 \| A
Specifications & Purity	for synthesis
Storage Temp	Room temperature
Shipped In	Normal
Grade	for synthesis

AI Insight

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	hexane-2,5-dione
INCHI	InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChi Key	OJVAMHKKJGICOG-UHFFFAOYSA-N
Canonical SMILES	CC(=O)CCC(=O)C
Isomeric SMILES	CC(=O)CCC(=O)C
WGK Germany	2
RTECS	MO3150000
PubChem CID	8035
UN Number	1224
Packing Group	I
Molecular Weight	114.14
Beilstein	506525

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H373:Causes damage to organs through prolonged or repeated exposure
Precautionary Statements	P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	2
RTECS	MO3150000
Class	3
Merck Index	71

Reviews

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Chengming Wu, Hongbo Chen, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2024) Zirconium-tin phosphate as an efficient catalyst for renewable p-xylene synthesis from biobased 2,5-dimethylfuran and ethylene. APPLIED CATALYSIS A-GENERAL, 670 (6): (119521). [PMID:9488716] [10.1016/j.apcata.2023.119521]
2. Chengming Wu, Quan Wang, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2024) Insight into the enhanced catalytic performance of phosphate-modified ZrO2/SBA-15 for the conversion of biobased 2,5-dimethylfuran and ethylene into p-xylene. CHEMICAL ENGINEERING JOURNAL, 480 (148031). [PMID:] [10.1016/j.cej.2023.148031]
3. Chengming Wu, Ting Wu, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2023) Highly efficient catalytic conversion of biomass-derived 2,5-dimethylfuran into renewable p-xylene over zirconium phosphate catalysts. APPLIED CATALYSIS A-GENERAL, 663 (119323). [PMID:] [10.1016/j.apcata.2023.119323]
4. Liwei Ni, Shiying Yang, Wenze Qiu, Jialei Jin, Qiyue Xu, Shuliang Ye. (2023) Mechanism study of the N-butoxycarbonyl-2,5-dimethylpyrrole synthesis reaction based on in-situ FTIR monitoring. VIBRATIONAL SPECTROSCOPY, 127 (103558). [PMID:] [10.1016/j.vibspec.2023.103558]
5. Wei Guo, Ben Li, Haijun Chi, Zhongliang Jiang, Liu Qing Wei, Edward D. Ramsey. (2023) On-line SFC-UV/Vis-MS using flow selection interfaces to monitor continuous flow single and sequential stage organic reactions in supercritical carbon dioxide. JOURNAL OF SUPERCRITICAL FLUIDS, 199 (105957). [PMID:] [10.1016/j.supflu.2023.105957]
6. Yamei Lin, Fei Wang, Enxiang Ren, Fuying Zhu, Qiang Zhang, Guo-Ping Lu. (2022) N, Si-codoped carbon-based iron catalyst for efficient, selective synthesis of pyrroles from nitroarenes: The role of Si doping. JOURNAL OF CATALYSIS, 416 (39). [PMID:] [10.1016/j.jcat.2022.10.017]
7. Chengming Wu, Zhao Yang, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2022) Efficient and sustainable production of p-xylene from biomass-derived 2,5-dimethylfuran and ethylene using alkali metal doped phosphotungstic acid catalysts. Sustainable Energy & Fuels, 6 (19): (4458-4469). [PMID:] [10.1039/D2SE00863G]
8. Ruikun Wang, Zhaohua Lin, Pingbo Peng, Shiteng Tan, Zhenghui Zhao, Qianqian Yin, Chunbo Wang. (2022) Influence mechanism of aqueous organic components on the hydrochar formation reaction during the biomass hydrothermal carbonization wastewater recycling. FUEL, 326 (125033). [PMID:] [10.1016/j.fuel.2022.125033]
9. Yanliang Yang, Dexi Yang, Chi Zhang, Min Zheng, Ying Duan. (2020) Preparation of 1-Hydroxy-2,5-hexanedione from HMF by the Combination of Commercial Pd/C and Acetic Acid. MOLECULES, 25 (11): (2475). [PMID:32471053] [10.3390/molecules25112475]
10. Zhang Xinglei, Pei Miaorong, Wu Debo, Yang Shuiping, Le Zhanggao. (2019) Real-time monitoring of the reaction between aniline and acetonylacetone using extractive electorspray ionization tandem mass spectrometry. Scientific Reports, 9 (1): (1-8). [PMID:31848445] [10.1038/s41598-019-55921-1]
11. Jun Zhang, Kaijun Dong, Weimin Luo. (2019) PdCl2-catalyzed hydrodeoxygenation of 5-hydroxymethylfurfural into 2,5-dimethylfuran at room-temperature using polymethylhydrosiloxane as the hydrogen donor. CHEMICAL ENGINEERING SCIENCE, 201 (467). [PMID:] [10.1016/j.ces.2019.03.011]
12. Gao-Wei Zheng, Yuan-Yang Liu, Qi Chen, Lei Huang, Hui-Lei Yu, Wen-Yong Lou, Chun-Xiu Li, Yun-Peng Bai, Ai-Tao Li, Jian-He Xu. (2017) Preparation of Structurally Diverse Chiral Alcohols by Engineering Ketoreductase CgKR1. ACS Catalysis, 7 (10): (7174–7181). [PMID:] [10.1021/acscatal.7b01933]
13. Chun-yan Chen, Xiao-ya Guo, Guang-qiang Lu, Christian Marcus Pedersen, Yan Qiao, Xiang-lin Hou, Ying-xiong Wang. (2017) Graphene oxide: a novel acid catalyst for the synthesis of 2,5-dimethyl-N-phenyl pyrrole by the Paal–Knorr condensation. NEW CARBON MATERIALS, 32 (160). [PMID:] [10.1016/S1872-5805(17)60013-6]
14. Ning Cui, Junmin Qian, Na Zhao, Hongjie Wang. (2014) Functional hyaluronic acid hydrogels prepared by a novel method. Materials Science & Engineering C-Materials for Biological Applications, 45 (573). [PMID:25491866] [10.1016/j.msec.2014.10.001]
15. Lanchang Gao, Liu Bing, Zehui Zhang, Huang Kecheng, Hu Xiaoyun, Kejian Deng. (2013) Efficient synthesis of N-substituted pyrroles catalyzed by a novel an organic–inorganic hybrid solid acid catalyst. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 735 (26). [PMID:] [10.1016/j.jorganchem.2013.03.018]

References

1. Chengming Wu, Hongbo Chen, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2024) Zirconium-tin phosphate as an efficient catalyst for renewable p-xylene synthesis from biobased 2,5-dimethylfuran and ethylene. APPLIED CATALYSIS A-GENERAL, 670 (6): (119521). [PMID:9488716] [10.1016/j.apcata.2023.119521]
2. Chengming Wu, Quan Wang, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2024) Insight into the enhanced catalytic performance of phosphate-modified ZrO2/SBA-15 for the conversion of biobased 2,5-dimethylfuran and ethylene into p-xylene. CHEMICAL ENGINEERING JOURNAL, 480 (148031). [PMID:] [10.1016/j.cej.2023.148031]
3. Chengming Wu, Ting Wu, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2023) Highly efficient catalytic conversion of biomass-derived 2,5-dimethylfuran into renewable p-xylene over zirconium phosphate catalysts. APPLIED CATALYSIS A-GENERAL, 663 (119323). [PMID:] [10.1016/j.apcata.2023.119323]
4. Liwei Ni, Shiying Yang, Wenze Qiu, Jialei Jin, Qiyue Xu, Shuliang Ye. (2023) Mechanism study of the N-butoxycarbonyl-2,5-dimethylpyrrole synthesis reaction based on in-situ FTIR monitoring. VIBRATIONAL SPECTROSCOPY, 127 (103558). [PMID:] [10.1016/j.vibspec.2023.103558]
5. Wei Guo, Ben Li, Haijun Chi, Zhongliang Jiang, Liu Qing Wei, Edward D. Ramsey. (2023) On-line SFC-UV/Vis-MS using flow selection interfaces to monitor continuous flow single and sequential stage organic reactions in supercritical carbon dioxide. JOURNAL OF SUPERCRITICAL FLUIDS, 199 (105957). [PMID:] [10.1016/j.supflu.2023.105957]
6. Yamei Lin, Fei Wang, Enxiang Ren, Fuying Zhu, Qiang Zhang, Guo-Ping Lu. (2022) N, Si-codoped carbon-based iron catalyst for efficient, selective synthesis of pyrroles from nitroarenes: The role of Si doping. JOURNAL OF CATALYSIS, 416 (39). [PMID:] [10.1016/j.jcat.2022.10.017]
7. Chengming Wu, Zhao Yang, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong. (2022) Efficient and sustainable production of p-xylene from biomass-derived 2,5-dimethylfuran and ethylene using alkali metal doped phosphotungstic acid catalysts. Sustainable Energy & Fuels, 6 (19): (4458-4469). [PMID:] [10.1039/D2SE00863G]
8. Ruikun Wang, Zhaohua Lin, Pingbo Peng, Shiteng Tan, Zhenghui Zhao, Qianqian Yin, Chunbo Wang. (2022) Influence mechanism of aqueous organic components on the hydrochar formation reaction during the biomass hydrothermal carbonization wastewater recycling. FUEL, 326 (125033). [PMID:] [10.1016/j.fuel.2022.125033]
9. Yanliang Yang, Dexi Yang, Chi Zhang, Min Zheng, Ying Duan. (2020) Preparation of 1-Hydroxy-2,5-hexanedione from HMF by the Combination of Commercial Pd/C and Acetic Acid. MOLECULES, 25 (11): (2475). [PMID:32471053] [10.3390/molecules25112475]
10. Zhang Xinglei, Pei Miaorong, Wu Debo, Yang Shuiping, Le Zhanggao. (2019) Real-time monitoring of the reaction between aniline and acetonylacetone using extractive electorspray ionization tandem mass spectrometry. Scientific Reports, 9 (1): (1-8). [PMID:31848445] [10.1038/s41598-019-55921-1]
11. Jun Zhang, Kaijun Dong, Weimin Luo. (2019) PdCl2-catalyzed hydrodeoxygenation of 5-hydroxymethylfurfural into 2,5-dimethylfuran at room-temperature using polymethylhydrosiloxane as the hydrogen donor. CHEMICAL ENGINEERING SCIENCE, 201 (467). [PMID:] [10.1016/j.ces.2019.03.011]
12. Gao-Wei Zheng, Yuan-Yang Liu, Qi Chen, Lei Huang, Hui-Lei Yu, Wen-Yong Lou, Chun-Xiu Li, Yun-Peng Bai, Ai-Tao Li, Jian-He Xu. (2017) Preparation of Structurally Diverse Chiral Alcohols by Engineering Ketoreductase CgKR1. ACS Catalysis, 7 (10): (7174–7181). [PMID:] [10.1021/acscatal.7b01933]
13. Chun-yan Chen, Xiao-ya Guo, Guang-qiang Lu, Christian Marcus Pedersen, Yan Qiao, Xiang-lin Hou, Ying-xiong Wang. (2017) Graphene oxide: a novel acid catalyst for the synthesis of 2,5-dimethyl-N-phenyl pyrrole by the Paal–Knorr condensation. NEW CARBON MATERIALS, 32 (160). [PMID:] [10.1016/S1872-5805(17)60013-6]
14. Ning Cui, Junmin Qian, Na Zhao, Hongjie Wang. (2014) Functional hyaluronic acid hydrogels prepared by a novel method. Materials Science & Engineering C-Materials for Biological Applications, 45 (573). [PMID:25491866] [10.1016/j.msec.2014.10.001]
15. Lanchang Gao, Liu Bing, Zehui Zhang, Huang Kecheng, Hu Xiaoyun, Kejian Deng. (2013) Efficient synthesis of N-substituted pyrroles catalyzed by a novel an organic–inorganic hybrid solid acid catalyst. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 735 (26). [PMID:] [10.1016/j.jorganchem.2013.03.018]

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