Cas no 13494-06-9 (3,4-Dimethyl-1,2-cyclopentanedione)
3,4-Dimethyl-1,2-cyclopentanedione (CAS 13494-07-0) is a cyclic diketone with a molecular formula of C7H10O2. This compound features a five-membered cyclopentanedione core substituted with methyl groups at the 3 and 4 positions. It is a versatile intermediate in organic synthesis, particularly in the preparation of flavor and fragrance compounds due to its ability to impart caramel-like and roasted notes. Its structural rigidity and functional groups make it useful in heterocyclic chemistry, serving as a precursor for pharmaceuticals and agrochemicals. The compound exhibits stability under standard conditions and is soluble in common organic solvents, facilitating its handling in laboratory and industrial applications. Its well-defined reactivity profile allows for selective modifications, enabling tailored synthetic routes.
13494-06-9 structure
Product Name:3,4-Dimethyl-1,2-cyclopentanedione
CAS No:13494-06-9
MF:C7H10O2
MW:126.153102397919
MDL:MFCD00143063
CID:49297
Update Time:2026-05-14
3,4-Dimethyl-1,2-cyclopentanedione Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Dimethyl-1,2-cyclopentanedione
- 3,4-Dimethyl-1,2-cyclopentadione
- 3,4-Dimethylcyclopentane-1,2-dione
- 1,2-Cyclopentanedione,3,4-dimethyl
- 2-Cyclopentanedione,3,4-dimethyl-1
- 3,4-dimethyl-2-cyclopentanedione
- 3,4-Dimethyl-cyclopentan-1,2-dion
- 3,4-dimethyl-cyclopentane-1,2-dione
- FEMA 3268
- METHYL CORYLONE
- DiMethyl-1,2-cyclopenta
- 3,4-diMethyl-1,2-cyclopenadione
- 1,2-Cyclopentanedione, 3,4-dimethyl-
- FEMA No. 3268
- 1,2-Cyclopentanedione,3,4-dimethyl-
- AK167007
- Caramel Pentadione
- 3,4-Dimethyl 1,2-cyclopentandione
- Jsp002125
- WGAVDEVFJDQIMZ-UHFFFAOYSA-N
- OR70301
- TRA0127693
- FCH1117397
- R4
-
- MDL： MFCD00143063
- Inchi： 1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3
- InChI Key： WGAVDEVFJDQIMZ-UHFFFAOYSA-N
- SMILES： O=C1C(C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H])=O
Computed Properties
- Exact Mass: 126.06800
- Monoisotopic Mass: 126.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 21
- XLogP3: 0.6
- Topological Polar Surface Area: 34.1
Experimental Properties
- Color/Form: Light yellow to yellow powder, with a strong aroma like cucurbit Bach hay.
- Density: 1.0579 (rough estimate)
- Melting Point: 67.0 to 71.0 deg-C
- Boiling Point: 187.4°C at 760 mmHg
- Flash Point: 63.6 °C
- Refractive Index: 1.4690 (estimate)
- Water Partition Coefficient: Slightly soluble
- PSA: 34.14000
- LogP: 0.80050
- FEMA: 3268
- Solubility: Not available
3,4-Dimethyl-1,2-cyclopentanedione Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- WGK Germany：3
- Safety Instruction： S24/25
- Storage Condition：Inert atmosphere,2-8°C
- Safety Term：S24/25
3,4-Dimethyl-1,2-cyclopentanedione Customs Data
- HS CODE：2914299000
- Customs Data：
China Customs Code:
2914299000Overview:
2914299000. Other cycloalkanones without other oxygen-containing groups\Cyclic enone or cyclic terpenone. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
3,4-Dimethyl-1,2-cyclopentanedione 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. | D102535-25g |
3,4-Dimethyl-1,2-cyclopentanedione |
13494-06-9 | 97% | 25g |
￥699.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D102535-5g |
3,4-Dimethyl-1,2-cyclopentanedione |
13494-06-9 | 97% | 5g |
￥192.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D102535-100g |
3,4-Dimethyl-1,2-cyclopentanedione |
13494-06-9 | 97% | 100g |
￥2199.90 | 2023-09-03 | |
| Chemenu | CM201654-10g |
3,4-Dimethylcyclopentane-1,2-dione |
13494-06-9 | 95% | 10g |
$133 | 2021-08-05 | |
| Chemenu | CM201654-25g |
3,4-Dimethylcyclopentane-1,2-dione |
13494-06-9 | 95% | 25g |
$248 | 2021-08-05 | |
| Chemenu | CM201654-100g |
3,4-Dimethylcyclopentane-1,2-dione |
13494-06-9 | 95% | 100g |
$743 | 2021-08-05 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R023835-100g |
3,4-Dimethyl-1,2-cyclopentanedione |
13494-06-9 | 97% | 100g |
￥1973 | 2024-05-26 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R023835-25g |
3,4-Dimethyl-1,2-cyclopentanedione |
13494-06-9 | 97% | 25g |
￥616 | 2024-05-26 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R023835-5g |
3,4-Dimethyl-1,2-cyclopentanedione |
13494-06-9 | 97% | 5g |
￥154 | 2024-05-26 | |
| TRC | D266395-1g |
3,4-Dimethyl-1,2-cyclopentanedione |
13494-06-9 | 1g |
$ 51.00 | 2023-09-08 |
3,4-Dimethyl-1,2-cyclopentanedione Suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
(CAS:13494-06-9)3,4-dimethyl 2-hydroxy-2-cyclopenten-1-one
Order Number:sfd12320
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:13494-06-9)3,4-二甲基-1,2-環(huán)戊二酮
Order Number:LE2473077
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:40
Price ($):discuss personally
Email:[email protected]
3,4-Dimethyl-1,2-cyclopentanedione Related Literature
-
1. Synthesis of polysubstituted cyclic 1,2-diketones enabled by iterative sulfoxide-mediated arylationXiangtai Meng,Dengfeng Chen,Xiaoji Cao,Jinyue Luo,Fei Wang,Shenlin Huang Chem. Commun. 2019 55 12495
13494-06-9 (3,4-Dimethyl-1,2-cyclopentanedione) Related Products
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Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:13494-06-9)3,4-dimethyl 2-hydroxy-2-cyclopenten-1-one
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:13494-06-9)3,4-二甲基-1,2-環(huán)戊二酮
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry