Chalcone
Also known as Benzalacetophenone, Benzylideneacetophenone, Chalkone
Key facts
What buyers check first
- CAS number
- 94-41-7
- Formula
- C15H12O
- Molar mass
- 208.26 g/mol
- EC number
- 202-330-2
- HS code
- 291439
- Category
- Pharmaceuticals and APIs
What is Chalcone?
Plain description, key identifiers and synonyms
Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group.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 chalcones and a member of styrenes.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (E)-1,3-diphenylprop-2-en-1-one
- CAS number
- 94-41-7 CAS number cross-checkedOther or deprecated CAS: 614-47-1
- EC numbers
- 202-330-2, 210-383-8
- Molecular formula
- C15H12O
- UNII
- 5S5A2Q39HX
- MDL number
- MFCD00003082
- InChIKey
- DQFBYFPFKXHELB-VAWYXSNFSA-N
- InChI
- InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
- Canonical SMILES
- O=C(C=Cc1ccccc1)c1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
Synonyms
- Benzalacetophenone
- Benzylideneacetophenone
- Chalkone
- Phenyl styryl ketone
- Cinnamophenone
- 1,3-Diphenyl-2-propen-1-one
- (E)-1,3-diphenylprop-2-en-1-one
- Styryl phenyl ketone
- 3-Phenylacrylophenone
- beta-Benzoylstyrene
- 2-Propen-1-one, 1,3-diphenyl-
- Benzylidene acetophenone
- beta-Phenylacrylophenone
- Phenyl 2-phenylvinyl ketone
- Benzylidenecetophenone
- alpha-Benzylideneacetophenone
- 1,3-diphenylprop-2-en-1-one
- Phenyl (E)-2-phenylethenyl ketone
- (E)-1,3-Diphenyl-propenone
- 1,3 Diphenyl 2 Propen 1 One
- Chalcedony 8108
- trans-Chalcone
- (E)-Chalcone
- (2E)-1,3-diphenylprop-2-en-1-one
- 2-Benzalacetophenone
Show all 38 synonymsShow fewer synonyms
- 1,3-Diphenyl-2-propenone
- 2-Benzylideneacetophenone
- 1,3-Diphenylpropenone
- 1-Benzoyl-2-phenylethene
- Phenyl trans-styryl ketone
- trans-Benzalacetophenone
- 1-Benzoyl-1-phenylethene
- (E)-Benzylideneacetophenone
- 1-Phenyl-2-benzoylethylene
- trans-Benzylideneacetophenone
- Acrylophenone, 3-phenyl-
- 1,3-Diphenyl-1-propen-3-one
- (E)-1,3-Diphenyl-2-propen-1-one
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 208.26 g/molcalc.Computed value |
|---|---|
| Exact mass | 208.0888 Dacalc.Computed value |
| LogP (octanol/water) | 3.58calc.Computed value |
| Topological polar surface area | 17.07 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 16calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (15)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P330Rinse mouth.
- P337 + P317If eye irritation persists: Get medical help.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidChalcone suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Price on request
- India ManufacturerUnclaimed profileChalconeGrade, purity and minimum order on requestPrice on request
- China, Hangzhou ManufacturerUnclaimed profileChalconeGrade, purity and minimum order on requestPrice on request
- Price on request
- Canada, Guelph ManufacturerUnclaimed profileChalconeGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profileChalconeGrade, purity and minimum order on requestPrice on request
- India, MumbaiUnclaimed profileChalconeGrade, purity and minimum order on requestPrice on request
- Price on request
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
88 suppliers in 15 countries
- United States30
- China26
- Germany4
- United Kingdom4
- Hong Kong4
- Spain3
- and 9 more countries
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Chalcone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- enzyme inhibitor
- eukaryotic metabolite
- metabolite
- plant metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Chalcone is traded under.
Aromatic ketones without other oxygen function, other
- India * partner reported11.9%
- Germany9.9%
- United States8.7%
* Partner reported figures, a lower bound.
The HS code shown for Chalcone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Chalcone, based on the data on this page
What is Chalcone?
What is the CAS number of Chalcone?
What is the molecular formula and weight of Chalcone?
What is Chalcone used for?
Is Chalcone hazardous?
What is the HS code of Chalcone?
Where can I buy Chalcone?
Where can I buy Chalcone in India?
What is the price of Chalcone?
Guides for buyers
Practical guides that help when you source, ship or handle Chalcone
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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