trans-4-Phenyl-3-buten-2-one
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trans-4-Phenyl-3-buten-2-one
structure -
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CAS No:
1896-62-4
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Formula:
C10H10O
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Chemical Name:
trans-4-Phenyl-3-buten-2-one
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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
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CAS No:
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.
trans-4-Phenyl-3-buten-2-one Use and Manufacturing
trans-4-Phenyl-3-buten-2-one is used in various synthetic preparations.
Plating agents and surface treating agents
< 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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