Cas no 4437-51-8 (3,4-Hexanedione)
3,4-Hexanedione (CAS 4437-51-8) is a diketone compound with the molecular formula C6H10O2, featuring two carbonyl groups at the 3 and 4 positions of a six-carbon chain. This yellow to orange liquid exhibits a characteristic ketonic odor and is soluble in organic solvents such as ethanol and ether. As a versatile intermediate, it is widely employed in organic synthesis, particularly in the preparation of heterocyclic compounds, pharmaceuticals, and agrochemicals. Its high reactivity in condensation and cyclization reactions makes it valuable for constructing complex molecular frameworks. The compound's stability under standard conditions and well-defined chemical properties ensure consistent performance in synthetic applications. Researchers also utilize 3,4-hexanedione as a ligand precursor in coordination chemistry due to its chelating potential.
3,4-Hexanedione structure
Product Name:3,4-Hexanedione
CAS No:4437-51-8
MF:C6H10O2
MW:114.142402172089
MDL:MFCD00010237
CID:45059
PubChem ID:62539
Update Time:2026-05-14
3,4-Hexanedione Chemical and Physical Properties
Names and Identifiers
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- 3,4-Hexanedione
- Hexane-3,4-dione
- Dipropionyl
- Bipropionyl
- NSC 23255
-
- MDL: MFCD00010237
- Inchi: 1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
- InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N
- SMILES: CCC(=O)C(=O)CC
- BRN: 1700837
Computed Properties
- Exact Mass: 114.06800
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 91.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 7
- XLogP3: 0.5
Experimental Properties
- Color/Form: Yellow liquid
- Density: 0.939?g/mL?at 25?°C(lit.)
- Melting Point: -10 oC
- Boiling Point: 130°C(lit.)
- Flash Point: Fahrenheit: 80.6 ° f
Celsius: 27 ° c - Refractive Index: n20/D 1.41(lit.)
- Water Partition Coefficient: 127 g/L (20 oC)
- PSA: 34.14000
- LogP: 0.94460
- Solubility: Almost insoluble in water, soluble in ethanol and oil, very soluble in propylene glycol
- FEMA: 3168
3,4-Hexanedione Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H226
- Warning Statement: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- Hazardous Material transportation number:UN 1224 3/PG 3
- WGK Germany:1
- Hazard Category Code: 10
- Safety Instruction: S23-S24/25-S37/39-S26-S16
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Hazardous Material Identification:
- Packing Group:III
- Hazard Level:3
- HazardClass:3
- PackingGroup:III
- TSCA:Yes
- Storage Condition:<0°C
- Safety Term:3
- Packing Group:III
- Risk Phrases:R10; R20; R36/38
3,4-Hexanedione Customs Data
- HS CODE:2914501900
- Customs Data:
China Customs Code:
2914190090Overview:
2914190090 Other acyclic ketones without other oxygen-containing groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914190090 other acyclic ketones without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
3,4-Hexanedione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H102539-25g |
3,4-Hexanedione |
4437-51-8 | 96% | 25g |
¥74.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H102539-5g |
3,4-Hexanedione |
4437-51-8 | 96% | 5g |
¥29.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H102539-100g |
3,4-Hexanedione |
4437-51-8 | 96% | 100g |
¥236.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H102539-500g |
3,4-Hexanedione |
4437-51-8 | 96% | 500g |
¥944.90 | 2023-09-02 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R003862-100g |
3,4-Hexanedione |
4437-51-8 | 96% | 100g |
¥185 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R003862-25g |
3,4-Hexanedione |
4437-51-8 | 96% | 25g |
¥52 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R003862-5g |
3,4-Hexanedione |
4437-51-8 | 96% | 5g |
¥27 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R003862-500g |
3,4-Hexanedione |
4437-51-8 | 96% | 500g |
¥815 | 2024-05-23 | |
| TRC | H252295-5g |
3,4-Hexanedione |
4437-51-8 | 5g |
$ 360.00 | 2022-06-04 | ||
| TRC | H252295-10g |
3,4-Hexanedione |
4437-51-8 | 10g |
$ 595.00 | 2022-06-04 |
3,4-Hexanedione Suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
(CAS:4437-51-8)3,4-Hexanedione
Order Number:sfd7535
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
(CAS:4437-51-8)3,4-Hexanedione
Order Number:LE2836
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:43
Price ($):discuss personally
Email:[email protected]
3,4-Hexanedione Related Literature
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Abiodun O. Eseola,Helmar G?rls,Masroor Bangesh,Winfried Plass New J. Chem. 2018 42 7884
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Lukas Muschallik,Denise Molinnus,Melanie Jablonski,Carina Ronja Kipp,Johannes Bongaerts,Martina Pohl,Torsten Wagner,Michael J. Sch?ning,Thorsten Selmer,Petra Siegert RSC Adv. 2020 10 12206
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3. New Enantioselective Reactions catalysed by cinchonidine-modified platinumWilhelmus A. H. Vermeer,Anthony Fulford,Peter Johnston,Peter B. Wells J. Chem. Soc. Chem. Commun. 1993 1053
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Ting-Ting Feng,Xian-Bing Xu,Ming Du,Ming-Qian Tan,Lei Qin,Bei-Wei Zhu Anal. Methods 2017 9 2445
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Mariusz Tasior,Beata Koszarna,David C. Young,Beata Bernard,Denis Jacquemin,Dorota Gryko,Daniel T. Gryko Org. Chem. Front. 2019 6 2939