CAS 2550-26-7|Benzylacetone
| Common Name | Benzylacetone | ||
|---|---|---|---|
| CAS Number | 2550-26-7 | Molecular Weight | 148.202 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 233.5±0.0 °C at 760 mmHg |
| Molecular Formula | C10H12O | Melting Point | -13ºC |
| MSDS | ChineseUSA | Flash Point | 98.3±0.0 °C |
Names
| Name | 4-phenylbutan-2-one |
|---|---|
| Synonym | More Synonyms |
Benzylacetone BiologicalActivity
| Description | 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 >>TyrosinaseResearch 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 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,647,1983
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,647,1983 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,647,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1590 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(5),7,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 583 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(5),7,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,647,1983
Safety Information
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R38 |
| Safety Phrases | S37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
| RTECS | EL9600000 |
| HS Code | 29143900 |
Customs
| HS Code | 2914399090 |
|---|---|
| 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% |
Articles2
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| Structure-activity relationship of cinnamaldehyde analogs as inhibitors of AI-2 based quorum sensing and their effect on virulence of Vibrio spp. PLoS ONE 6(1) , e16084, (2011) Many bacteria, including Vibrio spp., regulate virulence gene expression in a cell-density dependent way through a communication process termed quorum sensing (QS). Hence, interfering with QS could be... |
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 |
| 2-Butanone, 4-phenyl- |
| Methyl phenethyl ketone |
| Benzylacetone |
| MFCD00008790 |
| UNII-UZM5QH16YW |
