CAS 2096-86-8 1-(4-Methylphenyl)propan-2-one (HCID 137428)

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Basic information

CAS: 2096-86-8
Standard SMILES: CC(=O)Cc1ccc(C)cc1
InChIKey: NOXKUHSBIXPZBJ-UHFFFAOYSA-N
Molecular formula: C10H12O
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.088815

Names & identifiers

Preferred name: 1-(4-Methylphenyl)propan-2-one
IUPAC: 1-(4-methylphenyl)propan-2-one
English name: 4-Methylphenylacetone
Molecular formula: C10H12O
Molecular weight: 148.2

Names & synonyms

1-(4-methylphenyl)propan-2-oneRefChem:425924641-172-24-Methylphenylacetone2096-86-81-(p-tolyl)propan-2-one2-Propanone, 1-(4-methylphenyl)-1-(4-methylphenyl)-2-propanone1-(4-Methylphenyl)acetonep-Methylphenyl acetone4-Methylphenyl acetoneMFCD00017250

Show more names

p-Tolylaceton4-TOLYLACETONE(P-METHYLPHENYL)ACETONE4-Methyl benzene, acetone4-Methylphenylacetone,98%4-METHYLPHENYLACETONE 98%

3-(4-methylphenyl)-2-propanonep-Methylphenylacetone1-p-tolylpropan-2-one(4-methylphenyl)propanone1-(p-tolyl)-2-propanoneSCHEMBL815594-Methylphenylacetone, 90%ghl.PD_Mitscher_leg0.368

Database identifiers

CAS: 2096-86-8
PubChem CID: 137428
DTXSID: DTXSID00175141
EC Number: 641-172-2
Nikkaji: J515.590H

Properties

Computed structural properties

XLogP: 1.8
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

Boiling point: 132 °C · 132 °C
Density: 0.96 · 0.96
refractive index: 1.513 · 1.5130 (estimate)
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6H,7H2,1-2H3
InChIKey: NOXKUHSBIXPZBJ-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)C=C1)C(=O)C
CAS DataBase Reference: 2096 · 2096-86-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.