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Home > Encyclopedia > trans-4-Phenyl-3-buten-2-one

trans-4-Phenyl-3-buten-2-one

trans-4-Phenyl-3-buten-2-one structure

trans-4-Phenyl-3-buten-2-one 

structure
  • CAS No:

    1896-62-4

  • Formula:

    C10H10O

  • Chemical Name:

    trans-4-Phenyl-3-buten-2-one

  • Synonyms:

    3-Buten-2-one,4-phenyl-,(3E)-;3-Buten-2-one,4-phenyl-,(E)-;(3E)-4-Phenyl-3-buten-2-one;Methyl trans-styryl ketone;trans-Benzylideneacetone;trans-1-Phenylbut-1-en-3-one;trans-Benzalacetone;trans-4-Phenyl-3-buten-2-one;trans-Phenylvinyl methyl ketone;(E)-Benzylideneacetone;(E)-Methyl styryl ketone;(E)-Benzalacetone;(E)-4-Phenyl-3-buten-2-one;Methyl (E)-2-phenylethenyl ketone;trans-4-Phenyl-3-butene-2-one;trans-4-Phenylbuten-2-one;(E)-Benzalacetone

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Solid


Solid|colourless to slightly yellow crystalline solid with a sweet, pungent, creamy, floral odour


Trans-benzylideneacetone is the trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth. It has a role as a flavouring agent, a fragrance, a bacterial metabolite and an EC 3.1.1.4 (phospholipase A2) inhibitor.

trans-4-Phenyl-3-buten-2-one Basic Attributes

146.19

146.19

204-555-1

B03X40BMT5

5605

DTXSID4025662|DTXSID1031626

2914399090

Characteristics

17.1

2.1

Yellow Crystalline Substance

1.0±0.1 g/cm3

42 °C

262 °C

150 °F

1.563

Practically insoluble in water;alcohol: freely soluble (lit.)

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.

0.01 mm Hg ( 25 °C)

Flammable; burning produces irritating fumes

Safety Information

9

UN 3077 9/PG III

3

36/37/38-43-42/43

7-26-36/37/39-37/39

EN0330050

Xn,Xi

Ventilated, low temperature and dry

Stable at room temperature in closed containers under normal storage and handling conditions. May discolor on exposure to light.

P261-P280-P305 + P351 + P338

H315-H317-H319-H335

|Warning|H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (85.45%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501|Aggregated GHS information provided by 1844 companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

4-phenyl-3-buten-2-one

trans-4-Phenyl-3-buten-2-one Use and Manufacturing

Uses

trans-4-Phenyl-3-buten-2-one is used in various synthetic preparations.


Plating agents and surface treating agents

Production

< 25,000 lb

Paint and coating manufacturing|3-Buten-2-one, 4-phenyl-: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:146.19
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:146.073164938
Monoisotopic Mass:146.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:152
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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