메틸(3-)-2,4-,펜탄디온
3-메틸-2,4-펜테인다이온 · 2,4-펜탄디온,3-메틸- · 3-메틸-2,4-펜탄다이온 · 3-메틸아세틸아세톤 · 메틸(3-)-2,4-,펜탄디온 · 3-메틸-2,4-펜탄디온 · 3-Methyl-2,4-pentadione · 3-METHYLPENTANE-2,4-DIONE
식별자 및 물리적 특성
| CAS No. | 815-57-6 |
|---|---|
| 분자식 | C6H10O2 |
| 평균 분자량 | 114.14 g/mol |
| 단동위원소 질량 | 114.06807956 g/mol |
| SMILES | CC(=O)C(C)C(C)=O |
| InChIKey | GSOHKPVFCOWKPU-UHFFFAOYSA-N |
| PubChem CID | 69949 |
| ChEMBL | CHEMBL1650633 |
| EC No. | 212-420-3 |
| DTXSID | DTXSID70231142 |
| 현지명 | 메틸(3-)-2,4-,펜탄디온 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 34.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 102 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| 녹는점 | -7.75°C (estimate) |
| 끓는 점 | 172-174 °C(lit.) |
| 밀도 | 0.981 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.442(lit.) |
| 인화점 | 134 °F |
| 저장 조건 | Inert atmosphere,2-8°C |
| pKa(산도 계수) | pK1:10.87 (25°C) |
| 물리적 상태 | 투명한 액체 |
| 색상 | Light yellow to Yellow to Green |
| 용해도 | 물에 용해됩니다. |
| BRN | 635909 |
| InChI | InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3 |
| InChIKey | GSOHKPVFCOWKPU-UHFFFAOYSA-N |
| SMILES | CC(=O)C(C)C(=O)C |
| LogP(분배 계수) | 0.623 (est) |
화학적 성질
clear colourless to yellow liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1224 3/PG 3 |
| 관세 코드 | 2914.19.0000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-24705 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
3-Methyl-2,4-pentanedione involves in asymmetric substitution of 1,3-diphenyl-2-propenyl acetate catalyzed by amphiphilic resin-supported monodentate phosphine ligands can occur.
일반 설명
Peroxynitrite promoted aerobic oxidation of 3-methyl-2,4-pentanedione has been reported. The kinetics of the reaction of OH radicals with 3-methyl-2,4-pentanedione has been investigated in the gas-phase using a pulsed laser photolysis-laser induced fluorescence technique. 3-methyl-2,4-pentanedione participates in asymmetric substitution of 1,3-diphenyl-2-propenyl acetate catalyzed by amphiphilic resin-supported monodentate phosphine ligands.