3'-Methoxypropiophenone

HCID 584765

Notes Reactions

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Basic information

CAS: 37951-49-8
Standard SMILES: CCC(=O)c1cccc(OC)c1
InChIKey: LPDJHUUWTGXTCU-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: 3'-Methoxypropiophenone
IUPAC: 1-(3-methoxyphenyl)propan-1-one
English name: 3'-methoxypropiophenone
Molecular formula: C10H12O2
Molecular weight: 164.2

Names & synonyms

3'-Methoxypropiophenone37951-49-81-(3-methoxyphenyl)propan-1-one1-Propanone, 1-(3-methoxyphenyl)-EINECS 253-729-3DTXSID80191389RefChem:484701DTXCID40113880253-729-31-(3-Methoxyphenyl)-1-propanone1-(3-methoxy-phenyl)-propan-1-one3'-Methoxypropiophenon

Show more names

3-methoxypropiophenone3'-Methoxypropiophenone, 99%1-(3-methoxy-phenyl)propan-1-one

3`-MethoxypropiophenoneMFCD084588233 inverted exclamation mark -Methoxypropiophenonem-Methoxypropiophenone3-methoxyphenyl ethyl ke3-methoxyphenyl ethyl ketoneF3SB684FEW3-Methoxypropiophenone, 97%

Database identifiers

CAS: 37951-49-8
PubChem CID: 584765
DTXSID: DTXSID80191389
UNII: F3SB684FEW
EC Number: 253-729-3
Nikkaji: J261.276C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 154

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 259 ℃ · 259℃
Density: 1.0812 · 1.0812
refractive index: 1.523 · 1.5230 (estimate)
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChIKey: LPDJHUUWTGXTCU-UHFFFAOYSA-N
SMILES: C(C1=CC=CC(OC)=C1)(=O)CC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H332-H319-H315-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
HS Code: 2914500090 · 2914500090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 78.6% (11 of 14) of all reports.

Warning

H302 (21.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 11-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21686

Hazard Classes and CategoriesAcute Tox. 4 (21.4%)

Safety data

hs_code: 2914500090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H332-H319-H315-H302
REACH Registrations: Active
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312

Chemistry & industry

Applications

Uses3'-methoxypropiophenone has a wide range of applications in the fields of medicine, chemistry, and industry.

Preparation methods

PreparationPreparation by reaction of ethylmagnesium bromide,with m-methoxybenzonitrile (m.p. 60°)with 3-methoxybenzaldehyde and oxidation of the resulting 1-(3-methoxyphenyl)-1-propanol with sodium dichromate in sulfuric acid (70%).