CAS Number2550-26-7
SynonymsPhenethyl methyl ketone; 4-Phenyl-2-butanone; Methyl phenylethyl ketone; Benzyl acetone; 4-Penylbutan-2-one; Methyl 2-phenylethyl ketone; 4-phenylbutan-2-one; 2-Butanone,4-phenyl; β-Phenylethyl methyl ketone; EINECS 219-847-4; 1-Phenyl-3-butanone; Methyl phenethyl ketone; Benzylacetone; MFCD00008790; UNII-UZM5QH16YW
Molecular FormulaC6H5CH2CH2COCH3
Molecular Weight148.20
Purity98%
Density1.0±0.1 g/cm3
Boiling Point235 °C (lit.)
Melting Point-13ºC
Appearanceliquid
EINECS219-847-4
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2550-26-7 |
| Catalog No. | 2A-9028729 |
| Chinese Name | 4-苯基-2-丁酮 |
| Synonyms | Phenethyl methyl ketone; 4-Phenyl-2-butanone; Methyl phenylethyl ketone; Benzyl acetone; 4-Penylbutan-2-one; Methyl 2-phenylethyl ketone; 4-phenylbutan-2-one; 2-Butanone,4-phenyl; β-Phenylethyl methyl ketone; EINECS 219-847-4; 1-Phenyl-3-butanone; Methyl phenethyl ketone; Benzylacetone; MFCD00008790; UNII-UZM5QH16YW |
| Molecular Formula | C6H5CH2CH2COCH3 |
| Molecular Weight | 148.20 |
| Purity | 98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 235 °C (lit.) |
| Melting Point | -13ºC |
| Appearance | liquid |
| Water Solubility | PRACTICALLY INSOLUBLE |
| Storage Condition | Keep container sealed, placed in a tight-fitting c |
| Application | Benzylacetone is an aromatic compound extracted from agarwood. Benzylacetone has strong and reversible anti-mushroom tyrosinase activity, with IC50 values of 2.8 mM and 0.6 mM for monophenolase and |
| EINECS | 219-847-4 |
| HTC | 29143900 |
| PubChem ID | 24891600 |
| MDL Number | MFCD00008790 |
| SMILES | CC(=O)CCc1ccccc1 |
| InChI | 1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChI Key | AKGGYBADQZYZPD-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1907123 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/28729_1_2550_26_7.pdf |
| Bioactivity | Benzylacetone is an aromatic compound from agarwood[1]. Benzylacetone exhibits potent and reversible antityrosinase (mushroom) activity， with IC50s of 2.8 mM and 0.6 mM for monophenolase and diphenolase, respectively[2]. Benzylacetone has appetite-enhancing and locomotor-reducing effects[3]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Tyrosinase Research Areas >> Metabolic Disease Target IC50: 2.8 mM (monophenolase, tyrosinase mushroom), 0.6 mM (diphenolase, tyrosinase mushroom)[2] References [1]. Takamatsu S, et al. Agarotetrol: a source compound for low molecular weight aromatic compounds from agarwood heating. J Nat Med. 2018 Mar;72(2):537-541. [2]. Liu X, et al. Inhibition effects of benzylideneacetone, benzylacetone, and 4-phenyl-2-butanol on the activity of mushroom tyrosinase. J Biosci Bioeng. 2015 Mar;119(3):275-9. [3]. Ogawa K, et al. Appetite-Enhancing Effects: The Influence of Concentrations of Benzylacetone and trans-Cinnamaldehyde and Their Inhalation Time, as Well as the Effect of Aroma, on Body Weight in Mice. Biol Pharm Bull. 2016;39(5):794-8. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 233.5±0.0 °C at 760 mmHg Melting Point -13ºC Molecular Formula C10H12O Molecular Weight 148.202 Flash Point 98.3±0.0 °C Exact Mass 148.088821 PSA 17.07000 LogP 1.67 Vapour Pressure 0.1±0.4 mmHg at 25°C Index of Refraction 1.504 InChIKey AKGGYBADQZYZPD-UHFFFAOYSA-N SMILES CC(=O)CCc1ccccc1 Water Solubility PRACTICALLY INSOLUBLE |
| Use of | Properties Name 4-phenylbutan-2-one Synonym More Synonyms Benzylacetone Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Tyrosinase Research Areas >> Metabolic Disease References [1]. Takamatsu S, et al. Agarotetrol: a source compound for low molecular weight aromatic compounds from agarwood heating. J Nat Med. 2018 Mar;72(2):537-541. [2]. Liu X, et al. Inhibition effects of benzylideneacetone, benzylacetone, and 4-phenyl-2-butanol on the activity of mushroom tyrosinase. J Biosci Bioeng. 2015 Mar;119(3):275-9. [3]. Ogawa K, et al. Appetite-Enhancing Effects: The Influence of Concentrations of Benzylacetone and trans-Cinnamaldehyde and Their Inhalation Time, as Well as the Effect of Aroma, on Body Weight in Mice. Biol Pharm Bull. 2016;39(5):794-8. Chemical & Physical Properties Molecular Formula C10H12O Exact Mass 148.088821 PSA 17.07000 Index of Refraction 1.504 InChIKey AKGGYBADQZYZPD-UHFFFAOYSA-N Water Solubility PRACTICALLY INSOLUBLE |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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