CAS Number5349-62-2
Synonyms2-Pentanone,4-methyl-1-phenyl; 4-Oxo-2-methyl-5-phenyl-pentan; 4-methyl-1-phenyl-pentan-2-one; Isobutyl benzyl ketone; 4-Methyl-1-phenyl-pentan-2-on; 1-phenyl-4-methyl-2-pentanone; 4-Methyl-1-phenyl-2-pentanone; MFCD00015639; FEMA No. 2740; Benzyl isobutyl ketone; EINECS 226-316-0
Molecular Formula(CH3)2CHCH2COCH2C6H5
Molecular Weight176.25
Purity≥95%
Density0.949
Boiling Point250-251 °C (lit.)
AppearanceColorless to light yellow liquid
EINECS226-316-0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5349-62-2 |
| Catalog No. | 2A-9031694 |
| Chinese Name | 4-甲基-1-苯基-2-戊酮 |
| Synonyms | 2-Pentanone,4-methyl-1-phenyl; 4-Oxo-2-methyl-5-phenyl-pentan; 4-methyl-1-phenyl-pentan-2-one; Isobutyl benzyl ketone; 4-Methyl-1-phenyl-pentan-2-on; 1-phenyl-4-methyl-2-pentanone; 4-Methyl-1-phenyl-2-pentanone; MFCD00015639; FEMA No. 2740; Benzyl isobutyl ketone; EINECS 226-316-0 |
| Molecular Formula | (CH3)2CHCH2COCH2C6H5 |
| Molecular Weight | 176.25 |
| Purity | ≥95 |
| Density | 0.949 |
| Boiling Point | 250-251 °C (lit.) |
| Appearance | Colorless to light yellow liquid |
| Storage Condition | 2~8 °C, inert gas atmosphere |
| Application | 4-Methyl-1-phenyl-2-pentanone is an endogenous metabolite. |
| EINECS | 226-316-0 |
| HTC | 2914399090 |
| PubChem ID | 24901298 |
| MDL Number | MFCD00015639 |
| SMILES | CC(C)CC(=O)Cc1ccccc1 |
| InChI | 1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChI Key | DTYGTEGDVPAKDA-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| MSDS | msds/31694_1_5349_62_2.pdf |
| Use of | 4-Methyl-1-phenyl-2-pentanone is an endogenous metabolite. Properties Name 4-methyl-1-phenylpentan-2-one Synonym More Synonyms 4-Methyl-1-phenyl-2-pentanone Biological Activity Description 4-Methyl-1-phenyl-2-pentanone is an endogenous metabolite. Related Catalog Research Areas >> Metabolic Disease Chemical & Physical Properties Molecular Formula C12H16O Exact Mass 176.12000 PSA 17.07000 LogP 2.84430 Index of Refraction 1.498 InChIKey DTYGTEGDVPAKDA-UHFFFAOYSA-N Safety Information Personal Protective Equipment Eyeshields;Gloves RIDADR NONH for all modes of transport WGK Germany 3 HS Code 2914399090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. MFN tariff:5.5%. General tariff:30.0% |
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