1-苯基-1,2-丙二酮(CAS 579-07-7):分子式 C9H8O2、分子量 148.16。
| CAS号 | 579-07-7 |
|---|---|
| 分子式 | C9H8O2 |
| 分子量 | 148.16 |
| 熔点 | < 20 °C |
| 沸点 | 103.00 to 105.00 °C. @ 14.00 mm Hg |
| LogP | 1.7 |
1-苯基-1,2-丙二酮 是一种化工化合物,登记 CAS 号为 579-07-7,分子式 C9H8O2(分子量 148.16)。
登记 CAS 号:579-07-7
其分子式 C9H8O2 由 9 个碳、8 个氢、2 个氧 组成。
别名/同义词:1-苯基-1,2-丙二酮 · 1-Phenyl-1,2-propanedione
1-苯基-1,2-丙二酮 的 CAS 登记号为 579-07-7。
分子式 C9H8O2,分子量 148.16。
别名/同义词:1-苯基-1,2-丙二酮、1-Phenyl-1,2-propanedione。
1-苯基-1,2-丙二酮(CAS 579-07-7)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 579-07-7 |
|---|---|
| PubChem CID | 11363 |
| Molecular formula | C9H8O2 |
| Molecular weight | 148.05 g/mol |
| IUPAC name | 1-phenylpropane-1,2-dione |
| InChIKey | BVQVLAIMHVDZEL-UHFFFAOYSA-N |
| UNII (FDA) | ZB5XA3GD0I |
| ChEBI ID | CHEBI:63552 |
| FEMA number | 3226 |
| JECFA number | 833 |
| Molecular Weight | 148.16 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 148.052429494 |
| Monoisotopic Mass | 148.052429494 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 11 |
| Boiling Point | 103.00 to 105.00 °C. @ 14.00 mm Hg |
|---|---|
| Boiling Point | 103-105 °C (14 mm Hg) |
| Boiling Point | 222 °C @760 [mm Hg] |
| Melting Point | < 20 °C |
| Solubility | 2.6 mg/mL at 20 °C |
| Density | 1.096-1.116 |
| Density | 1.007 @ 20°C/4°C |
| Refractive Index | 1.526-1.536 |
1-PHENYL-1,2-PROPANEDIONE; 1-Phenylpropane-1,2-dione; 579-07-7; Acetylbenzoyl; Acetyl benzoyl; Benzoylacetyl; Pyruvophenone; 1,2-Propanedione, 1-phenyl-; Methylphenylglyoxal; Benzoyl methyl ketone; Phenylmethyldiketone; Methyl phenyl diketone; 3-Phenyl-2,3-propanedione; Methyl phenyl glyoxal; Phenyl methyl diketone; FEMA No. 3226
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.8% (11 / 1445) |
| GHS notification summary | 0.8% (11 / 1445) |
|---|---|
| Reported hazard statements | H302 (97.4%), H312 (94.5%), H315 (99.2%), H317 (94.5%), H319 (99.1%), H332 (94.5%), H334 (94.5%), H335 (99.1%) |
This chemical does not meet GHS hazard criteria for 0.8% (11 of 1445) of reports.
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
1-Phenyl-1,2-propanedione is identified by CAS 579-07-7, molecular formula C9H8O2 and molecular weight 148.05 g/mol. UNII ZB5XA3GD0I; ChEBI 63552; InChIKey BVQVLAIMHVDZEL-UHFFFAOYSA-N. Boiling Point: 103.00 to 105.00 °C. @ 14.00 mm Hg; Boiling Point: 103-105 °C (14 mm Hg); Boiling Point: 222 °C @760 [mm Hg].
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 1-Phenyl-1,2-propanedione