Hot Products

Basic Information

Post buying leads

Suppliers

Cas Database

Name	(E)-4-Phenyl-3-buten-2-one	EINECS	217-587-6
CAS No.	1896-62-4	Density	1.014 g/cm³
PSA	17.07000	LogP	2.28880
Solubility	practically insoluble in water	Melting Point	39-42 °C(lit.)
Formula	C₁₀H₁₀O	Boiling Point	260.8 °C at 760 mmHg
Molecular Weight	146.189	Flash Point	65.6 °C
Transport Information	N/A	Appearance	light yellow low melting crystalline mass
Safety	7-26-36/37/39-37/39	Risk Codes	36/37/38-43-42/43
Molecular Structure		Hazard Symbols	Xi,Xn
Synonyms	3-Buten-2-one,4-phenyl-, (E)- (8CI);(4E)-4-Phenylbut-3-en-2-one;(E)-Benzalacetone;(E)-Benzylideneacetone;(E)-Methyl styryl ketone;Methyl(E)-2-phenylethenyl ketone;Methyl trans-styryl ketone;trans-1-Phenylbut-1-en-3-one;trans-4-Phenyl-3-buten-2-one;	Article Data	418

(E)-4-Phenyl-3-buten-2-one Synthetic route

: 939-03-7
3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With benzeneseleninic anhydride In dichloromethane for 4h; Ambient temperature;	100%

: 63511-95-5
(E)-2-methyl-2-styryl-1,3-dioxolane

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With Ru(CH3CN)3(triphos)(OTf)2 (triphos = CH3C(CH2PPh2)3); acetone for 48h; Ambient temperature;	100%
With hydrogenchloride; water In dimethyl sulfoxide at 20℃; Inert atmosphere;

: 75-16-1
methylmagnesium bromide

: 80783-99-9, 124931-15-3, 113474-86-5
N-methoxy-N-methylcinnamamide

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃;	100%
In tetrahydrofuran; diethyl ether at 0 - 20℃; for 2h;	98%
Stage #1: N-methoxy-N-methylcinnamamide With methyl 4-bromocinnamate; triethylsilyl trifluoromethyl sulfonate; triethylphosphine In toluene at 110℃; for 5h; Inert atmosphere; Stage #2: methylmagnesium bromide In tetrahydrofuran; toluene at -78℃; Inert atmosphere; Stage #3: With tetrabutyl ammonium fluoride In tetrahydrofuran; toluene for 0.5h; Inert atmosphere;	83%

: 1067-71-6
Diethyl (2-oxopropyl)phosphonate

: 100-52-7
benzaldehyde

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With potassium carbonate In water at 20℃; for 15h;	100%
With potassium carbonate In water at 20℃; for 18h;	100%
With potassium carbonate In water at 20℃; for 18h; other aldehyde;	100%

: 591-50-4
iodobenzene

: 78-94-4
methyl vinyl ketone

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 100℃; for 18h; Heck reaction;	100%
With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; palladium diacetate In N,N-dimethyl-formamide at 25℃; for 48h;	98%
With triphenylphosphine on reverse phase silica; triethylamine; Pd(OAc)2 on reverse phase silica In methanol; water Addition; Heck reaction;	97%

: 72047-50-8
2-methyl-2-trans-β-styryl-1,3-dithiane

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With dihydrogen peroxide; tantalum pentachloride; sodium iodide In water; ethyl acetate at 20℃; for 0.5h;	100%
With [bis(acetoxy)iodo]benzene In water; acetone at 20℃; for 0.0333333h; Ring cleavage;	90%
With o-iodoxybenzoic acid monohydrate In dimethyl sulfoxide at 22 - 32℃; for 16h;	74%
With Dess-Martin periodane In dichloromethane; water; acetonitrile at 20℃; for 0.5h;

: 100-52-7
benzaldehyde

: 67-64-1
acetone

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With sodium hydroxide In water for 7h;	99%
With sodium hydroxide In water at 20℃; for 6h; Claisen-Schmidt Condensation;	99%
With propylamine; Bi(S(CH2C6H4)2)(H2O)(1+)*CF3(CF2)6CF2SO3(1-)=[Bi(H2O)(S(CH2C6H4)2)](C8F17SO3) In water at 0 - 20℃; for 3h; Claisen-Schmidt condensation; optical yield given as %de; diastereoselective reaction;	96%

: 36004-04-3
ethyl (E)-1-phenylbut-1-en-3-ol

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; tris(2-methylphenyl)bismuth dichloride In toluene at 20℃; for 0.5h;	99%
With hydrogenchloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium nitrite In dichloromethane; water at 20℃; under 760.051 Torr; for 16h; in air;	99%
With sodium hydroxide; dipotassium peroxodisulfate; nickel(II) sulphate In dichloromethane; water for 24h; Ambient temperature;	96%

: 73922-81-3, 81555-86-4, 104597-03-7, 5876-76-6
4-phenyl-but-3-yn-2-ol

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
With [Rh(±)-2,2’-bis(diphenylphosphino)-1,1’-binaphthyl]BF4 In dichloromethane at 80℃; for 1h;	99%
[Rh(±)-2,2’-bis(diphenylphosphino)-1,1’-binaphthyl]BF4 In 1,2-dichloro-ethane at 80℃; for 1h;	99%
Multi-step reaction with 2 steps 1: manganese(IV) oxide / dichloromethane / 2 h / 20 °C / Darkness; Schlenk technique 2: triphenylphosphine; benzoic acid; water / tetrahydrofuran / 24 h / 65 °C View Scheme

: 51608-60-7
N-(benzylidene)-p-methylbenzenesulfonamide

: 1439-36-7
1-triphenylphosphoranylidene-2-propanone

: 1896-62-4
(E)-benzalacetone

Conditions

Conditions	Yield
In dimethyl sulfoxide at 100℃; for 12h; Inert atmosphere; optical yield given as %de; stereoselective reaction;	99%

(E)-4-Phenyl-3-buten-2-one Chemical Properties

IUPAC Name: (E)-4-Phenylbut-3-en-2-one
Molecular formula: C₁₀H₁₀O
Molecular Weight: 146.19 g/mol
The Molecular Structure of trans-Benzalacetone (CAS NO.1896-62-4):

EINECS: 204-555-1
Melting Point: 39-42 °C(lit.)
Boiling Point: 260.8 °C at 760 mmHg
Flash Point: 65.6 °C
Index of Refraction: 1.563
Molar Refractivity: 46.8 cm³
Molar Volume: 144 cm³
Polarizability: 18.55×10^-24 cm³
Surface Tension: 36.9 dyne/cm
Density: 1.014 g/cm³
Enthalpy of Vaporization: 49.85 kJ/mol
Vapour Pressure: 0.012 mmHg at 25 °C
Water Solubility: practically insoluble
XLogP3: 2.1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 146.073165
MonoIsotopic Mass: 146.073165
Topological Polar Surface Area: 17.1
Canonical SMILES: CC(=O)C=CC1=CC=CC=C1
Isomeric SMILES: CC(=O)/C=C/C1=CC=CC=C1
InChI: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKey: BWHOZHOGCMHOBV-BQYQJAHWSA-N
Product Categories: C10; Carbonyl Compounds; Ketones

(E)-4-Phenyl-3-buten-2-one Toxicity Data With Reference

mma-sat 300 µg/plate

FCTOD7 Food and Chemical Toxicology, 20 (1982),427.

(E)-4-Phenyl-3-buten-2-one Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 36/37/38-43-42/43
R36/37/38:Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements: 7-26-36/37/39-37/39
S7:Keep container tightly closed.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: EN0330050
F: 8
Mutation data reported. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

(E)-4-Phenyl-3-buten-2-one Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

(E)-4-Phenyl-3-buten-2-one Specification

trans-Benzalacetone (CAS NO.1896-62-4) is also named as 4-07-00-01003 (Beilstein Handbook Reference) ; AI3-52291 ; BRN 0742047 ; Methyl trans-styryl ketone ; TPBO ; trans-4-Phenyl-3-butene-2-one ; trans-Benzalacetone ; trans-Benzylidenacetone ; trans-Benzylideneacetone . trans-Benzalacetone (CAS NO.1896-62-4) is light yellow low melting crystalline mass. It is flammable. It will produce stimulate smoke when buring. So the storage environment should be ventilate, low-temperature and dry.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 1896-62-4