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Dihydrochalcone

Dihydrochalcone structure

CAS No:
1083-30-3
Formula:
C15H14O
Chemical Name:
Dihydrochalcone
Synonyms:
1-Propanone,1,3-diphenyl-;Propiophenone,3-phenyl-;Propiophenone,β-phenyl-;1,3-Diphenyl-1-propanone;Dihydrochalcone;Hydrochalcone;Hydrocinnamophenone;2-Phenethyl phenyl ketone;1,3-Diphenyl-1-oxopropane;Phenethyl phenyl ketone;β-Phenylpropiophenone;ω-Benzylacetophenone;Benzylacetophenone;Phenyl phenethyl ketone;3-Phenylpropiophenone;2-Benzylacetophenone;Phenylethyl phenyl ketone;1-Benzoyl-2-phenylethane;2,3-Dihydrobenzalacetophenone;NSC 12245
Categories:
Food Additives > Sweeteners

Description

ChEBI: A member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group.

Solid

Dihydrochalcone is a member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. It has a role as a plant metabolite.

Dihydrochalcone Basic Attributes

Molecular Weight：

210.27

Exact Mass：

210.27

BRN：

1910661

UNII：

H5W525SX7Q

NSC Number：

12245

DSSTox ID：

DTXSID7061481

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

3.50210

Appearance：

Solid

Density：

1.0614 g/cm³ @ Temp: 23 °C

Melting Point：

72 °C

Boiling Point：

145-150 °C @ Press: 7 Torr

Flash Point：

152.9ºC

Refractive Index：

1.574

Water Solubility：

Insoluble in water.

Vapor Pressure：

3.78E-05mmHg at 25°C

Safety Information

safety instructions：

22-24/25

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2',4-dihydroxy-alpha,beta-dihydrochalcone

Dihydrochalcone Use and Manufacturing

Methods of Manufacturing

From flavonoid glycosides (the content in immature citrus can reach 20%, such as hesperidin, the rhamnose residue on the hesperidin is cut with hesperidin, and hydrogenated under alkaline conditions to obtain glucose orange Cortin dihydrochalcone (sweet, but the solubility is only 0.1%), and then use amyloglucosidyl transferase to connect several glucose groups to it, and the solubility is up to 1%. Naringin is commercially available Dihydrochalcone and neohesperidin dihydrochalcone, etc.

Uses

Organic intermediates.Non-nutritive sweeteners. Suitable for low Ph value and low temperature heating products.

Manufacturing Info：

1-Propanone, 1,3-diphenyl-: INACTIVE

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Computed Properties

Molecular Weight:210.27
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:210.104465066
Monoisotopic Mass:210.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

127208-37-1

98943-70-5

77414-34-7

Material

Benzyl alcohol