2'-Methylpropiophenone

HCID 264809CAS 2040-14-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(=O)c1ccccc1C
InChIKey
VQHKICGSBBPFFJ-UHFFFAOYSA-N
Molecular formula
C10H12O
Average molar mass
148.2 g/mol
Monoisotopic mass
148.088815

Overview

2'-methyl-Propiophenone is an aromatic ketone.

Names & identifiers

Preferred name
2'-Methylpropiophenone
IUPAC
1-(2-methylphenyl)propan-1-one
English name
Ethyl-o-tolyl ketone
Molecular formula
C10H12O
Molecular weight
148.2

Names & synonyms

2'-MethylpropiophenoneDTXSID90295185RefChem:439716DTXCID80246323815-280-71-(2-methylphenyl)propan-1-one1-(o-tolyl)propan-1-one1-Propanone, 1-(2-methylphenyl)-1-o-Tolyl-propan-1-oneMFCD056636891-(2-Methylphenyl)-1-propanoneo-Methylpropiophenone
Show more names
Ethyl-o-tolyl ketone1-o-Tolylpropan-1-oneTolperisone Impurity 4O-METHYL-PROPIOPHENONE2'-Methylpropiophenone98%2'-Methylpropiophenone 98%
1-Propanone, 1-(methylphenyl)-NSC100176Propiophenone, 2'-methyl-2-methyl propiophenoneTolperisone Impurity D1-(o-Toly2'-methyl-Propiophenone1-(o-Tolyl)-1-propanone

Database identifiers

CAS
2040-14-4
PubChem CID
264809
DTXSID
DTXSID90295185
ChEBI
CHEBI:229448
Nikkaji
J1.026.324G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
-27.6 °C · -27.6°C
Boiling point
219.5 °C · 219.5°C (estimate)
Density
1.0119 · 1.0119
refractive index
1.5413 · 1.5413 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly), Methanol (Slightly)

Safety & regulation

Safety data

hs_code
2914390090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses2'-Methylpropiophenone can be used for volatile component analysis in infant formula using SPME coupled with GCxGC-TOFMS.

Upstream & downstream products

Suppliers50 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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