CAS 5337-93-9 p-Methylpropiophenone (HCID 21429)

Names & identifiers

Preferred name: p-Methylpropiophenone
IUPAC: 1-(4-methylphenyl)propan-1-one
English name: 4'-Methylpropiophenone
Molecular formula: C10H12O
Molecular weight: 148.2

Names & synonyms

4'-Methylpropiophenone5337-93-91-(p-tolyl)propan-1-onep-Methylpropiophenone4-Methylpropiophenone1-(4-methylphenyl)propan-1-one1-Propanone, 1-(4-methylphenyl)-p-Tolyl ethyl ketoneNSC-8528490C17WABEINECS 226-267-5AI3-04217

Show more names

ETHYL-P-TOLYLKETON4-MethylpropiophenonLABOTEST-BB LT000530504-Methyl PropiphenoneP-Methyl phenylethylketoneEthyl 4-methylphenyl ketone1-(4-methylphenyl)-propan-1-one

CHEBI:59335PATYHUUYADUHQS-UHFFFAOYSA-DTXSID00201535NSC 852RefChem:858134DTXCID30124026226-267-5InChI=1/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

Database identifiers

CAS: 5337-93-9
PubChem CID: 21429
DTXSID: DTXSID00201535
ChEBI: CHEBI:59335
UNII: 8490C17WAB
EC Number: 226-267-5
Nikkaji: J30.886B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 7.2 °C · 7.2 °C
Boiling point: 238 · 238-239 °C(lit.)
Density: 0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.528(lit.)
Flash point: 229 °F · 229 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in chloroform and hexane.
form: Oil
color: Colourless
Specific Gravity: 0.99 · 0.99
BRN: 2042137 · 2042137
InChI: InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey: PATYHUUYADUHQS-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)C=C1)(=O)CC
CAS DataBase Reference: 5337 · 5337-93-9(CAS DataBase Reference)
FDA UNII: 8490 C17WAB · 8490C17WAB
NIST Chemistry Reference: 4 · 4'-Methylpropiophenone(5337-93-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29143990 · 29143990
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H401 (66.7%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 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.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Propanone, 1-(4-methylphenyl)-

Status: Active Update: 20-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17404

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Aquatic Acute 2 (66.7%)

Regulatory information

Regulatory Information · 2 items

Chemical: 1-Propanone, 1-(4-methylphenyl)-

Status: Active Update: 20-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17404

Safety data

wgk: 3
hs_code: 29143990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses4'-methylpropiophenone has been reported to be used in the synthesis of pharmaceutical compounds such as tolperisone and other muscle relaxants. The substance is also a starting material in the synthesis of 4-methylmethcathinone (mephedrone). Mephedrone has been encountered as a ‘legal high’ and on the illicit drug market masquerading as cocaine (in powder form), MDMA (in tablet form) and as an adulterant. According to the 2016 European Drugs Market Report produced by the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA), mephedrone has created a specific demand and carved its own distinct market share.

Uses4′-Methylpropiophenone is a chemical reagent used in electrocarboxylation reactions.

Upstream & downstream products

Downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Additional notes

DefinitionChEBI: 4-methylpropiophenone is an aromatic ketone that is propiophenone bearing a methyl group at C-4. It derives from a propiophenone.