Benzyl acetate 3D structure

Benzyl acetate (also called Acetic acid benzyl ester, Phenylmethyl acetate) has the formula C9H10O2 and a molar mass of 150.17 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C9H10O2
Molar mass
150.17 g/mol
PubChem CID
8785
Heavy atoms
11
Category
Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC namebenzyl acetate
SMILESCC(=O)OCC1=CC=CC=C1
PubChem CID8785
Other namesAcetic acid benzyl ester, Phenylmethyl acetate, Benzyl ethanoate, Phenylmethyl ethanoate, alpha-Acetoxytoluene

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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