benzylideneacetone

CAS No. 122-57-6

Formula: C10H10O
Basic Info

Benzylideneacetone is the organic compound described by the formula C6H5CH=CHC(O)CH3. Although both cis- and trans-isomers are possible for the α,β-unsaturated ketone, only the trans isomer is observed. Its original preparation demonstrated the scope of condensation reactions to construct new, complex organic compounds.

Formula
C10H10O
Molecular Weight
146.186
Exact Mass
146.073
LogP
2.2888
PSA
17.07
Synonyms

Benzylideneacetone,Methyl styryl ketone

ACETOCINNAMONE

Benzalacetone

4-Phenylbut-3-en-2-one

BENZALAOETONE

METHYLSTYRYL

Methylstyrylketon

benzylidene

1-methyl-3-phenyl-2-propen-1-one

4-Phenyl-3-Buten-2-One

4-Phenylbutenone

Benzalaceton

methyl styryl ketone

Benzylideneacetone

FEMA 2881

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Properties
Appearance & Physical State
Colorless solid
Density
1.0377
Boiling Point
260-262ºC
Melting Point
39-42ºC
Flash Point
116ºC
Refractive Index
1.5836
Vapor Pressure
0.01 mm Hg ( 25 °C)
Safety Info
RTECS
EN0330050
Safety Statements
S24-S26-S37/39-S45
WGK Germany
3
Risk Statements
R36/37/38; R42/43
HS Code
29143900
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : Predict
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Mass Spectrum Mass spectrum (electron ionization)
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UV Spectrum UV/Visible spectrum
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Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
500 mg/24H
Toxic Effects
--
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1021,1973
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - guinea pig
Dose/Duration
1%/48H
Toxic Effects
--
Reference
Journal of the Society of Cosmetic Chemists. (Soc. of Cosmetic Chemists, 1995 Broadway, Suite 1701, New York, NY 10023) V.1- 1947- Volume(issue)/page/year: 28,357,1977
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
2031 mg/kg
Toxic Effects
Behavioral--muscle weakness<br>Vascular--regional or general arteriolar or venous dilation<br>Skin and Appendages--hair
Reference
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0391-1194

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