1-Phenoxy-2-propanone

C₉H₁₀O₂CAS 621-87-4150.18 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₉H₁₀O₂
Molar mass: 150.18 g/mol
Exact mass: 150.0681 Da
Density: 1.0903 g/mL (at 20 °C)
Boiling point: 229.5 °C
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H330 Fatal if inhaled33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

621-87-4

SMILES

CC(=O)COc1ccccc1

InChIKey

QWAVNXZAQASOML-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names

2-Propanone, 1-phenoxy-
2-Propanone, phenoxy-
Phenoxyacetone
1-Phenoxyacetone
Phenoxymethyl methyl ketone
Methyl phenoxymethyl ketone
Phenoxy-2-propanone
NSC 1876

Work with 1-Phenoxy-2-propanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenoxyacetic anhydride14316-61-157 % similar Methyl 2-phenoxyacetate2065-23-856 % similar Phenoxyacetic acid122-59-855 % similar 2-Phenoxyacetyl chloride701-99-555 % similar 2-Phenoxy-1-phenylethanone721-04-055 % similar Ethyl 2-phenoxyacetate2555-49-953 % similar Phenylacetone103-79-750 % similar Sodium phenoxyacetate3598-16-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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