Phenylacetone
Also known as 1-phenylpropan-2-one, 1-Phenyl-2-propanone, Benzyl methyl ketone
Key facts
What buyers check first
- Appearance
- Liquid
- Melting point
- -15.3 ยฐC
- Boiling point
- 214 ยฐC
- Density
- 1.0157 g/m cu at 20 ยฐC
- Solubility
- Very soluble in ethanol, diethyl ether, miscible in benzene, xylene, soluble in chloroform
- HS code
- 291431
- Category
- Impurities and reference standards
What is Phenylacetone?
Plain description, key identifiers and synonyms
Phenylacetone is a propanone that is propan-2-one substituted by a phenyl group at position 1. It is a member of propanones and a methyl ketone.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-phenylpropan-2-one
- CAS number
- 103-79-7 CAS number cross-checkedOther or deprecated CAS: 136675-26-8
- EC number
- 203-144-4
- Molecular formula
- C9H10O
- UNII
- O7IZH10V9Y
- InChIKey
- QCCDLTOVEPVEJK-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
- SMILES (canonical and isomeric)
- CC(=O)CC1=CC=CC=C1
Synonyms
- 1-phenylpropan-2-one
- 1-Phenyl-2-propanone
- Benzyl methyl ketone
- Methyl benzyl ketone
- Phenyl-2-propanone
- 3-Phenyl-2-propanone
- 2-Propanone, 1-phenyl-
- Phenylmethyl methyl ketone
- 1-Phenylacetone
- phenyl acetone
- 1-phenyl-propan-2-one
- phenylaceton
- Phenylacetone, 99%
- (phenyl)acetone
- DEA No. 8501
- methylbenzyl ketone
- alpha-Phenylacetone
- phenyl 2-propanone
- 1-phenyl propanedione
- 1-Phenylpropane-2-one
- Benzyl methyl ketone (P2P)
- ghl.PD_Mitscher_leg0.660
- Phenylacetone, analytical standard
- Amfetamine sulfate impurity b
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
| Appearance | Liquidexp.Measured value |
|---|---|
| Melting point | -15.3 ยฐCexp.Measured value |
| Boiling point | 214 ยฐCexp.Measured value |
| Density | 1.0157 g/m cu at 20 ยฐCexp.Measured value |
| Solubility | Very soluble in ethanol, diethyl ether, miscible in benzene, xylene, soluble in chloroformexp.Measured value |
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 | 134.18 g/molcalc.Computed value |
|---|---|
| Exact mass | 134.0732 Dacalc.Computed value |
| LogP (octanol/water) | 1.82calc.Computed value |
| Topological polar surface area | 17.07 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 10calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.22calc.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
- H227Combustible liquid.
Precautionary statements (5)
- P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P370 + P378In case of fire: Use appropriate media to extinguish.
- P403Store in a well-ventilated place.
- 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 aidPhenylacetone suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
Phenylacetone is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: UN Convention against Illicit Traffic 1988 Table I, India NDPS controlled substance, HS 2022 subheading 2914.31 (phenylacetone)
Our policy on controlled substancesLicensed buyers can post a request for Phenylacetone with their licence. Our compliance team reviews it before suppliers see it.
Phenylacetone 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
Phenylacetone (DEA Code Number: 8501) is a Schedule II controlled substance.
Schedule II Controlled Substance: (A) The drug or other substance has a high potential for abuse, (B) The drug or other substance has a currently accepted medical use in treatment in the United States or a currently accepted medical use with severe restrictions, and (C) Abuse of the drug or other substances may lead to severe psychological or physical dependence.
Synthesis of pharmaceuticals.
In organic synthesis, production of benzyl radicals by photolysis.
The quality and quantity of illicit methamphetamine has recently increased due to introduction of a new precursor, 1-phenyl-2-propanone (P2P). ...
Functional uses
- Flavouring and nutrient
How it is made
1-Phenyl-2-propanone is produced by catalytic ketonization of phenylacetic acid with acetic acid over an alumina-supported cerium oxide catalyst at 400-500 ยฐC. It may also be produced by the rearrangement of phenylpropylene oxide on zeolites or oxidation of 2-phenylpropanol.
Regulatory status
Inventories, regulations and trade controls that list this substance
Phenylacetone is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: UN Convention against Illicit Traffic 1988 Table I, India NDPS controlled substance, HS 2022 subheading 2914.31 (phenylacetone)
Our policy on controlled substancesControls
- US DEA controlled substance or listed chemical
- Drug precursor (UN 1988 Convention)
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 Phenylacetone is traded under.
Phenylacetone (phenylpropan-2-one)
- United States65.8%
- Spain22.7%
- Italy5.8%
* Partner reported figures, a lower bound.
The HS code shown for Phenylacetone is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Phenylacetone, based on the data on this page
What is Phenylacetone?
What is the CAS number of Phenylacetone?
What is the molecular formula and weight of Phenylacetone?
What is Phenylacetone used for?
Is Phenylacetone hazardous?
What is the HS code of Phenylacetone?
Can I buy Phenylacetone on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Phenylacetone
- 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
Request as a licensed buyer
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