4'-Methylchalcone
Also known as Chalcone, 4'-methyl-, p-Tolyl styryl ketone, 4'-Methyl-3-phenylacrylophenone
Key facts
What buyers check first
- CAS number
- 4224-96-8
- Formula
- C16H14O
- Molar mass
- 222.29 g/mol
- EC number
- 621-219-3
- HS code
- 291439
- Category
- Aromatic building blocks
What is 4'-Methylchalcone?
Plain description, key identifiers and synonyms
4'-Methylchalcone is a chemical substance with the molecular formula C16H14O and a molar mass of 222.29 g/mol. Its CAS registry number is 4224-96-8. The IUPAC name is (E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
- CAS number
- 4224-96-8Other or deprecated CAS: 14802-30-3
- EC number
- 621-219-3
- Molecular formula
- C16H14O
- MDL number
- MFCD00027612
- InChIKey
- SSXZWAYXQSKEMV-FMIVXFBMSA-N
- InChI
- InChI=1S/C16H14O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
- Canonical SMILES
- Cc1ccc(C(=O)C=Cc2ccccc2)cc1
- Isomeric SMILES
- CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2
Synonyms
- Chalcone, 4'-methyl-
- p-Tolyl styryl ketone
- 4'-Methyl-3-phenylacrylophenone
- 2-Propen-1-one, 1-(4-methylphenyl)-3-phenyl-
- 1-(4-methylphenyl)-3-phenylprop-2-en-1-one
- 2-Propen-1-one, 1-(4-methylphenyl)-3-phenyl-, (2E)-
- (E)-3-phenyl-1-(p-tolyl)prop-2-en-1-one
- (E)-4'-Methylchalcone
- (2E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
- (E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
- (E)-3-Phenyl-1-p-tolylprop-2-en-1-one
- 3-Phenyl-1-(p-tolyl)prop-2-en-1-one
- 1-(4-methylphenyl)-3-phenyl-2-propen-1-one
- 3-phenyl-1-p-tolylprop-2-en-1-one
- (E)-4 inverted exclamation mark -Methylchalcone
- (2E)-1-(4-Methylphenyl)-3-phenyl-2-propen-1-one
- (2E)-1-(4-Methylphenyl)-3-phenyl-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 | 222.29 g/molcalc.Computed value |
|---|---|
| Exact mass | 222.1045 Dacalc.Computed value |
| LogP (octanol/water) | 3.89calc.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 | 17calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.06calc.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.
- H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (6)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- 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 aid4'-Methylchalcone suppliers
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4'-Methylchalcone 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
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 4'-Methylchalcone 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 4'-Methylchalcone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![[4-[(E)-3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate chemical structure, C25H20O3, CAS 331460-44-7](/s/ADSBSBRQOQHMHV-JYFOCSDGSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about 4'-Methylchalcone, based on the data on this page
What is 4'-Methylchalcone?
What is the CAS number of 4'-Methylchalcone?
What is the molecular formula and weight of 4'-Methylchalcone?
What is 4'-Methylchalcone used for?
Is 4'-Methylchalcone hazardous?
What is the HS code of 4'-Methylchalcone?
Where can I buy 4'-Methylchalcone?
What is the price of 4'-Methylchalcone?
Guides for buyers
Practical guides that help when you source, ship or handle 4'-Methylchalcone
- 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
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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