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Name	Benzylacetone	EINECS	219-847-4
CAS No.	2550-26-7	Density	0.972 g/cm³
PSA	17.07000	LogP	2.20820
Solubility	practically insoluble in water	Melting Point	-13oC
Formula	C₁₀H₁₂O	Boiling Point	233.5 °C at 760 mmHg
Molecular Weight	148.205	Flash Point	98.3 °C
Transport Information	N/A	Appearance	clear colorless to pale yellowish liquid
Safety	37	Risk Codes	38
Molecular Structure		Hazard Symbols
Synonyms	1-Phenyl-3-butanone;2-Phenylethyl methyl ketone;4-Phenyl-2-butanone;	Article Data	922

Benzylacetone Chemical Properties

Molecule structure of Benzylacetone (CAS NO.2550-26-7):

IUPAC Name: 4-Phenylbutan-2-one
Molecular Weight: 148.20168 g/mol
Molecular Formula: C₁₀H₁₂O
Density: 0.972 g/cm³
Boiling Point: 233.5 °C at 760 mmHg
Flash Point: 98.3 °C
Index of Refraction: 1.503
Molar Refractivity: 45.09 cm³
Molar Volume: 152.3 cm³
Surface Tension: 34.1 dyne/cm
Enthalpy of Vaporization: 47.02 kJ/mol
Vapour Pressure: 0.0557 mmHg at 25 °C
Water Solubility: practically insoluble
XLogP3-AA: 1.8
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 148.088815
MonoIsotopic Mass: 148.088815
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Canonical SMILES: CC(=O)CCC1=CC=CC=C1
InChI: InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey: AKGGYBADQZYZPD-UHFFFAOYSA-N
EINECS: 219-847-4
Product Categories: Pharmaceutical Intermediates

Benzylacetone Uses

Benzylacetone (CAS NO.2550-26-7) can be used as an attractant for melon flies (Bactrocera cucurbitae), in perfume and an odorant for soap.

Benzylacetone Production

Benzylacetone can be prepared by the hydrogenation of benzylideneacetone.

Benzylacetone Toxicity Data With Reference

1.	skn-rbt 500 mg/24H SEV	FCTOD7 Food and Chemical Toxicology. 21 (1983),647.
2.	eye-rbt 2000 ppm	FCTOD7 Food and Chemical Toxicology. 21 (1983),647.
3.	orl-rat LD50:3200 mg/kg	FCTOD7 Food and Chemical Toxicology. 21 (1983),647.
4.	orl-mus LD50:1590 mg/kg	YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. 15 (5)(1980),7.
5.	ipr-mus LD50:583 mg/kg	YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. 15 (5)(1980),7.
6.	skn-rbt LD50:>5 g/kg	FCTOD7 Food and Chemical Toxicology. 21 (1983),647.

Benzylacetone Consensus Reports

Reported in EPA TSCA Inventory.

Benzylacetone Safety Profile

Hazard Codes: Xi
Risk Statements: 38
R38:Irritating to skin.
Safety Statements: 37
S37:Wear suitable gloves.
WGK Germany: 1
RTECS: EL9600000
HS Code: 29143900
Moderately toxic by ingestion and intraperitoneal routes. An eye and severe skin irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

Benzylacetone Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Benzylacetone Specification

Benzylacetone (CAS NO.2550-26-7) is also named as 1-Phenyl-3-butanone ; 4-07-00-00713 (Beilstein Handbook Reference) ; 4-Phenylbutan-2-one ; AI3-15123 ; BRN 1907123 ; Methyl 2-phenylethyl ketone ; Methyl phenethyl ketone ; Methyl phenylethyl ketone ; NSC 44829 ; NSC 813 ; Phenethyl methyl ketone ; beta-Phenylethyl methyl ketone . Benzylacetone (CAS NO.2550-26-7) is clear colorless to pale yellowish liquid with a sweet, flowery smell.

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