(E)-4-Phenylbut-3-en-2-one

(E)-4-Phenylbut-3-en-2-one - Names and Identifiers

Name	Benzalacetone
Synonyms	Benzalacetone benzylidene actone Benzylideneacetone 4-Phenyl-3-buten-2-o (E)-4-Phenylbut-3-en-2-one Benzylideneacetone, synthesis grade BenzylideneacetoneMethyl Styryl Ketone4-Phenyl-3-buten-2-one
CAS	122-57-6
EINECS	204-555-1
InChI	InChI=1/C10H11O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKey	BWHOZHOGCMHOBV-BQYQJAHWSA-N

(E)-4-Phenylbut-3-en-2-one - Physico-chemical Properties

Molecular Formula	C10H10O
Molar Mass	146.19
Density	1.038
Melting Point	39-42°C(lit.)
Boling Point	260-262°C(lit.)
Flash Point	150°F
JECFA Number	820
Water Solubility	1.398g/L(25 ºC)
Solubility	Easily soluble in ethanol, benzene, chloroform and ether, slightly soluble in water and petroleum ether
Vapor Presure	0.01 mm Hg ( 25 °C)
Appearance	White or yellowish crystals
Color	Pale yellow to yellow
Merck	14,1137
BRN	742046
Storage Condition	Store at
Sensitive	Light Sensitive
Refractive Index	1.5836
MDL	MFCD00008779
Physical and Chemical Properties	Character: colorless crystal. Has a coumarin odor. melting point 37~41 ℃ boiling point 260~262 ℃ relative density 1.0377 refractive index 1.5836 flash point 62 ℃ solubility soluble in ethanol, ether, benzene and chloroform, water-soluble and petroleum ether.
Use	For the preparation of spices and zinc plating brightener

(E)-4-Phenylbut-3-en-2-one - Risk and Safety

Risk Codes	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 Description	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. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection S24 - Avoid contact with skin. S36/37 - Wear suitable protective clothing and gloves. S22 - Do not breathe dust.
WGK Germany	3
RTECS	EN0330050
FLUKA BRAND F CODES	8
TSCA	Yes
HS Code	29143900
Toxicity	LD50 orally in Rabbit: 2031 mg/kg

(E)-4-Phenylbut-3-en-2-one - Upstream Downstream Industry

Raw Materials

Acetone
Benzaldehyde

(E)-4-Phenylbut-3-en-2-one - Nature

Open Data Verified Data

white or light yellow crystals with coumarin odor. Melting point 41.5 °c. Boiling point 260~262 deg C. Relative density 1. 0377 (15 °c). Refractive index 1.5836(45.9 degrees C). Slightly soluble in water, soluble in sulfuric acid, benzene, ethanol, chloroform. The color darkened in case of light. It is easy to decompose when heated for a long time.

Last Update：2024-01-02 23:10:35

(E)-4-Phenylbut-3-en-2-one - Preparation Method

Open Data Verified Data

with benzaldehyde as raw material, and acetone condensation.

Last Update：2022-01-01 10:42:46

(E)-4-Phenylbut-3-en-2-one - Use

Open Data Verified Data

This product is used in the perfume industry for the preparation of spices, flavoring agent or anti-volatile agent used as perfume; Dye industry used as mordant, fixing agent; Also used in the preparation of zinc plating brightener.

Last Update：2022-01-01 10:42:46

(E)-4-Phenylbut-3-en-2-one - Safety

Open Data Verified Data

toxicity was unknown. But can stimulate the skin, mucous membranes and cause blistering. Production equipment should be sealed, and operators should wear protective equipment. According to the general provisions of the storage and transportation of chemicals.

Last Update：2022-01-01 10:42:47

(E)-4-Phenylbut-3-en-2-one - Reference Information

FEMA	2881 \| 4-PHENYL-3-BUTEN-2-ONE
LogP	2.04
NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
properties	phenylmethylene acetone is prepared by reduced pressure distillation as colorless to light yellow and shiny flake crystals, with sweet pea aroma and spicy and stimulating taste, see the light color becomes darker, flammable, and easy to decompose after long-term heating. It occurs naturally in hydrolyzed soy protein. The refractive index 1.5836(45.9 ℃). Slightly soluble in water and petroleum ether, slightly soluble in benzene, easily soluble in ethanol, benzene, ether, chloroform and sulfuric acid. It is orange-red when interacting with sulfuric acid. This feature can be used to detect this product.
use	benzylideneacetone has a strong sweet pea aroma. in the perfume industry, as a raw material for synthetic spices, it is used to blend sweet pea series flavors, orange blossom and hyacinth and other flavors. in the electroplating industry, it is used as a brightener for galvanizing and nickel plating, and is mainly used in light industrial products such as automobiles and bicycles, playing an anti-corrosion role. In addition, benzylideneacetone also has certain insecticide and insect repellent effects, and is an important pesticide intermediate. The unique structure of benzylidene acetone, with phenyl, ethylenic, carbon and other functional groups, is an important intermediate for further synthesis of medicine, pesticides, and fragrances. used to prepare spices and galvanized gloss enhancers GB 2760-1996 regulations are temporarily allowed to use food spices. Prepare balm, cherry, grape, berry, fennel base and other flavors. This product is used as a galvanizing additive to increase the brightness of the plated product. The dyeing industry is used as a mordant to improve the uniformity and firmness of dyeing, and can also be used to prepare fragrances and flavoring agents. 4-Phenylbutene (3) keto-2 is an intermediate of the rodenticide murine. Aromatic organic substances, the most widely used superior bright additives in the acidic galvanizing process, in the potassium chloride, ammonium electroplating process can be in a wide current density, bright coating within a temperature range, the internal stress of the coating, corrosion resistance can play a good effect. This product can also be used as an anti-volatile agent for spices, a mordant for the dyeing industry, a fixing agent, and a fragrance enhancer. 4-Phenyl-3-buten-2-one Organic synthesis intermediate. Can be used as anti-volatile hair agent for spices. The dyeing industry is used as a mordant and fixing agent for the preparation of fragrances or flavoring agents and the preparation of galvanized gloss enhancers.
application	China's GB2760-1996 regulations temporarily allow phenylmethylene acetone to be used as edible flavor, used to prepare fragrant peas, cocoa, nuts, cherries, fruits and other flavor flavors, also used as floral flavor adjustment and anti-volatile hair agent, because of its irritating effect on the skin, generally not used in cosmetics. In addition, benzylidene acetone can also be used as mordant, fixing agent and zinc plating brightening agent in dyeing industry.
preparation method	currently the commonly used preparation method is to use benzaldehyde and acetone as raw materials to carry out Claisen reaction, in the presence of alkali (sodium hydroxide or sodium carbonate), aldehyde and ketone condensation, after the reaction is completed, add dilute hydrochloric acid to neutralize, adjust pH = 6~7, stand for stratification, and separate the upper yellow oil layer. in order to maximize the yield, the lower layer is extracted with benzene. After the benzene is recovered, the extract is merged with the oil layer, and then washed with water to separate the oil layer, decolorized with activated carbon, filtered, reduced-pressure steam distillation, refined, cooled, and crystallized to obtain benzene Methylene acetone crude product.
toxicity	can be safely used in food (FDA, 172.515,2000).
usage limit	FEMA(mg/kg): soft drink 0.82; Cold drink 0.84; Candy 3.7; Baked food 4.5; Gel and pudding 2.1; Shortening 0.20.
production method	benzaldehyde is used as raw material and is obtained by condensation with acetone. Acetone, benzaldehyde and water are mixed, 10% sodium hydroxide solution is slowly added after cooling, the temperature is controlled at 25-31 ℃, and stirring is continued for 1h after adding. Then add dilute hydrochloric acid to neutralize to pH 6-7, and leave for 1h to separate the yellow oil. The lower layer is extracted with benzene, the extract and the oil are combined, washed twice with water, the benzene is recovered after the water layer is separated, and then dried with calcium chloride, dried decolorized carbon is added, filtered, and the filtrate is distilled under reduced pressure to obtain the finished product.. Raw material consumption quota: benzaldehyde 1700kg/t, acetone 2900kg/t, liquid alkali (40%)500kg/t. the preparation method is to put benzaldehyde, acetone and water in a three-mouth bottle, add 10% sodium hydroxide solution dropwise, control the reaction temperature at 25~31 ℃, continue stirring for 1 h after adding, then add dilute hydrochloric acid to neutralize until pH = 6~7, separate yellow oil, extract with benzene in the water layer, merge oil layer liquid and extract liquid, wash with water, recover benzene and distill the product. put acetone, benzaldehyde and water into the reaction kettle, stir and mix evenly, slowly add 10% sodium hydroxide solution dropwise after cooling, control the temperature at 25~31 ℃, and continue stirring for 1 h after adding. Then add dilute hydrochloric acid to adjust the pH value to 6~7. Leave for 1 h to separate the yellow oil. The water layer is extracted with benzene, the extract and the oil are combined, washed twice with water, after the water layer is separated, benzene is recovered, decolorized with activated carbon, filtered, and the filtrate is distilled under reduced pressure to obtain the finished product. It is formed by condensation of benzaldehyde and acetone in the presence of alkaline condensing agent.

Last Update：2024-04-09 19:05:10

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Hubei YoungXin Pharmaceutical Tech Co.,Ltd.

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Wechat: 15671228036

Jiangsu Pules Biotechnology Co.,Ltd.

Product Name: Benzalacetone Request for quotation
CAS: 122-57-6
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756

Guangzhou Yuanda New Material Co.,Ltd

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Product Name: Benzalacetone Request for quotation
CAS: 122-57-6
Tel: +86 19849939632
Email: 2470479589@qq.com
Mobile: +86 19849939632
QQ: 2470479589

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Hefei TNJ Chemical Industry Co.,Ltd.

Product Name: Benzalacetone Request for quotation
CAS: 122-57-6
Tel: 0086-551-65418684
Email: sales@tnjchem.com
　　　　 info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840

Wechat: 0086 189 4982 3763
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Product List: View Catalog

Shanghai Yuanye Bio-Technology Co., Ltd.

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Product Name: Benzylideneacetone Visit Supplier Webpage Request for quotation
CAS: 122-57-6
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409

Wechat: 18301782025

Zouping Mingxing Chemical Co., Ltd.

Product Name: Benzylidene acetone Request for quotation
CAS: 122-57-6
Tel: 0086-13605431940
Email: xuli678323@126.com
Mobile: +86-13605431940
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(E)-4-Phenylbut-3-en-2-one

Raw Materials for (E)-4-Phenylbut-3-en-2-one

Acetone
Benzaldehyde

(E)-4-Phenylbut-3-en-2-one

Benzalacetone

CAS: 122-57-6

Molecular Formula: C10H10O

(E)-4-Phenylbut-3-en-2-one - Names and Identifiers

(E)-4-Phenylbut-3-en-2-one - Physico-chemical Properties

(E)-4-Phenylbut-3-en-2-one - Risk and Safety