Benzylacetone

Modify Date: 2024-01-02 17:32:53

Benzylacetone Structure
Benzylacetone structure
 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 Chinese USA Flash Point 98.3±0.0 °C

 Use of Benzylacetone


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].

 Names

Name 4-phenylbutan-2-one
Synonym More Synonyms

 Benzylacetone Biological Activity

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
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
Water Solubility PRACTICALLY INSOLUBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EL9600000
CHEMICAL NAME :
2-Butanone, 4-phenyl-
CAS REGISTRY NUMBER :
2550-26-7
BEILSTEIN REFERENCE NO. :
1907123
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C10-H12-O
MOLECULAR WEIGHT :
148.22
WISWESSER LINE NOTATION :
1V2R

HEALTH HAZARD DATA

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%

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 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
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