Chalcone

HCID 637760CAS 614-47-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(/C=C/c1ccccc1)c1ccccc1
InChIKey
DQFBYFPFKXHELB-VAWYXSNFSA-N
Molecular formula
C15H12O
Average molar mass
208.25 g/mol
Monoisotopic mass
208.088815

Names & identifiers

Preferred name
Chalcone
IUPAC
(E)-1,3-diphenylprop-2-en-1-one
English name
trans-Chalcone
Molecular formula
C15H12O
Molecular weight
208.26

Names & synonyms

Chalcone94-41-7BenzalacetophenoneBenzylideneacetophenoneChalkonePhenyl styryl ketoneCinnamophenone1,3-DIPHENYL-2-PROPEN-1-ONE(E)-1,3-diphenylprop-2-en-1-oneStyryl phenyl ketone3-Phenylacrylophenonebeta-Benzoylstyrene
Show more names
(E)-CHALCONEcone1,3-DIPHENYL-2-PROPENONE(2E)-1,3-DIPHENYLPROP-2-EN-1-ONE2-Propen-1-one, 1,3-diphenyl-, (E)-
2-Propen-1-one, 1,3-diphenyl-Benzylidene acetophenonebeta-PhenylacrylophenonePhenyl 2-phenylvinyl ketoneBenzylidenecetophenonealpha-Benzylideneacetophenone1,3-diphenylprop-2-en-1-onePhenyl (E)-2-phenylethenyl ketone

Database identifiers

CAS
614-47-1、94-41-7
PubChem CID
637760
DTXSID
DTXSID20873536
ChEMBL
CHEMBL7976
ChEBI
CHEBI:27618
UNII
5S5A2Q39HX
EC Number
202-330-2、210-383-8
Nikkaji
J151.129G、J4.699J

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
16

Experimental & physicochemical properties

LogP4.018
Boiling Point346.50 °C. @ 760.00 mm Hg
Melting Point57.5 °C
Vapor Pressure0.000107 [mmHg]
Physical Description · 2 items

Yellow powder; [Alfa Aesar MSDS]

Solid

Kovats Retention Index1970.6

Physicochemical properties

Melting point
55 · 55-59 °C
Boiling point
208 °C25 · 208 °C25 mm Hg(lit.)
Density
1.0712 · 1.0712
refractive index
1.5361 · 1.5361 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Propen-1-one, 1,3-diphenyl-

2-Propen-1-one, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 item

Causes other liver changes and multiple enzyme effects in acute intraperitoneal studies of mice; Oral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin irritant; [Merck Index] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Acute Tox. 4 (86.7%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (86.7%)

Regulatory information

Regulatory Information · 2 items

Chemical: 2-Propen-1-one, 1,3-diphenyl-

2-Propen-1-one, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
UD5576750
hs_code
29143990
risk_code
22-36/37
Signal word
Warning

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

UsesNatural aromatic ketone utilized for the biosynthesis of flavones and as a template for bioactive substances known as chalcones; [Merck Index]
General Manufacturing Information2-Propen-1-one, 1,3-diphenyl-: ACTIVE
Applications · 3 items

Descriptiontrans-Chalcone is an open chain flavonoid that may prevent lung and forestomach cancer.

Usestrans-Chalcone is a positive allosteric modulator of α7 nicotinic acetylcholine receptors and exhibits antioxidant activity.

General Descriptiontrans-Chalcone is an open chain flavonoid that may prevent lung and forestomach cancer.

Preparation methods

Preparationtrans-Chalcones have been obtained in good yields and selectivities following an environmentally friendly methodology by using montmorillonite KSF as a reusable heterogeneous catalyst.Clay-catalysed solventless synthesis of trans-chalcones

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a member of styrenes and a member of chalcones.

Related reactions

6 records
New reaction record

Linked notes

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