3,4-二甲基-1,2-环戊二酮（CAS 13494-06-9）：分子式 C7H10O2、分子量 126.15。
| CAS号 | 13494-06-9 |
|---|---|
| 分子式 | C7H10O2 |
| 分子量 | 126.15 |
| 熔点 | 71 - 72 °C |
| 沸点 | 66 °C (1 mm Hg) |
| LogP | 0.6 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 1、2-Cyclopentanedione、3、4-dimethyl-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 1、2-Cyclopentanedione、3、4-dimethyl-: ACTIVE。
3,4-二甲基-1,2-环戊二酮 是一种化工化合物，登记 CAS 号为 13494-06-9，分子式 C7H10O2（分子量 126.15）。
登记 CAS 号：13494-06-9
其分子式 C7H10O2 由 7 个碳、10 个氢、2 个氧 组成。
别名/同义词：3,4-二甲基-1,2-环戊二酮 · 3,4-Dimethyl-1,2-cyclopentadione
3,4-二甲基-1,2-环戊二酮 的 CAS 登记号为 13494-06-9。
分子式 C7H10O2，分子量 126.15。
别名/同义词：3,4-二甲基-1,2-环戊二酮、3,4-Dimethyl-1,2-cyclopentadione。
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 1、2-Cyclopentanedione、3、4-dimethyl-: ACTIVE。
3,4-二甲基-1,2-环戊二酮（CAS 13494-06-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 13494-06-9 |
|---|---|
| PubChem CID | 61633 |
| Molecular formula | C7H10O2 |
| Molecular weight | 126.07 g/mol |
| IUPAC name | 3,4-dimethylcyclopentane-1,2-dione |
| InChIKey | WGAVDEVFJDQIMZ-UHFFFAOYSA-N |
| UNII (FDA) | 50AIF51OCI |
| ChEBI ID | CHEBI:195837 |
| FEMA number | 3268 |
| JECFA number | 420 |
| Molecular Weight | 126.15 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 126.068079557 |
| Monoisotopic Mass | 126.068079557 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 66 °C (1 mm Hg) |
|---|---|
| Melting Point | 71 - 72 °C |
13494-06-9; 3,4-Dimethylcyclopentane-1,2-dione; 3,4-Dimethyl-1,2-cyclopentanedione; 3,4-Dimethyl-1,2-cyclopentadione; 1,2-Cyclopentanedione, 3,4-dimethyl-; Caramel Pentadione; FEMA No. 3268; 3,4-Dimethyl 1,2-cyclopentandione; EINECS 236-810-8; 50AIF51OCI; DTXSID2051689; 3,4-DIMETHYL 1,2-CYCLOPENTANDIONE, DL-; 3,4-DIMETHYL 1,2-CYCLOPENTANDIONE [FCC]; 3,4-DIMETHYL 1,2-CYCLOPENTANDIONE [FHFI]; RefChem:486316; DTXCID5030244
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Floral |
|---|---|
| GHS notification summary | 99.8% (1452 / 1455) |
| GHS notification summary | 99.8% (1452 / 1455) |
|---|
This chemical does not meet GHS hazard criteria for 99.8% (1452 of 1455) of all reports.
Reported as not meeting GHS hazard criteria by 1452 of 1455 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
3,4-Dimethyl-1,2-cyclopentadione is identified by CAS 13494-06-9, molecular formula C7H10O2 and molecular weight 126.07 g/mol. UNII 50AIF51OCI; ChEBI 195837; InChIKey WGAVDEVFJDQIMZ-UHFFFAOYSA-N. Boiling Point: 66 °C (1 mm Hg); Melting Point: 71 - 72 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3,4-Dimethyl-1,2-cyclopentadione