1-(Benzyloxy)propan-2-one
IUPAC: 1-phenylmethoxypropan-2-one
Plain text
Chemfused. (2026). 1-(Benzyloxy)propan-2-one, CAS 22539-93-1. Retrieved 2026-04-28 from https://chemfused.com/cas/22539-93-1
BibTeX
@misc{chemfused-cas-22539931,
title = {1-(Benzyloxy)propan-2-one, CAS 22539-93-1},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/22539-93-1},
urldate = {2026-04-28}
}
1-(Benzyloxy)propan-2-one (CAS 22539-93-1) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.2 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.
What is 1-(Benzyloxy)propan-2-one?
- Molecular Formula
- C10H12O2
- Molecular Weight
- 164.20 g/mol
Structure Identifiers
- SMILES
- CC(=O)COCC1=CC=CC=C1
- InChI
- InChI=1S/C10H12O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
- InChIKey
- YHMRKVGUSQWDGZ-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 164.0837 Da
- XLogP
- 1.30
- TPSA
- 26.3 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 2
- Complexity
- 137
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS07
Hazard Statements
- H315 Causes skin irritation
Precautionary Statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P271 Use only outdoors or in a well-ventilated area
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+P352 IF ON SKIN: Wash with soap and water
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (31)
- F222790
- AS-30007
- DA-07935
- SY107427
- XAA53993
- 828-028-6
- 22539-93-1
- CS-0171649
- Z906195414
- EN300-108880
- MFCD01863536
- AKOS009157009
- SCHEMBL712779
- DTXSID10395111
- RefChem:427122
- SCHEMBL2000163
- SCHEMBL27461846
- Benzyloxyacetone
- 1-(benzyloxy)acetone
- Benzyloxyacetone, 90%
- 1-Benzyloxy-2-propanone
- 1-Benzyloxypropan-2-one
- 3-benzyloxypropan-2-one
- 1-Benzyloxy-propan-2-one
- 1-(Benzyloxy)-2-propanone
- 1-(Benzyloxy)propan-2-one
- 1-phenylmethoxypropan-2-one
- YHMRKVGUSQWDGZ-UHFFFAOYSA-N
- 2-Propanone, 1-(phenylmethoxy)-
- 1-[(phenylmethyl)oxy]-2-propanone
- (E)-3-Dimethylamino-1-pyridin-3-yl-propenone
Frequently asked questions
What is the CAS number of 1-(Benzyloxy)propan-2-one?
The CAS Registry Number for 1-(Benzyloxy)propan-2-one is 22539-93-1.
What is the IUPAC name of 1-(Benzyloxy)propan-2-one?
The IUPAC name of 1-(Benzyloxy)propan-2-one is 1-phenylmethoxypropan-2-one.
What is the molecular formula of 1-(Benzyloxy)propan-2-one?
1-(Benzyloxy)propan-2-one has the molecular formula C10H12O2 and a molecular weight of 164.2 g/mol.
What is the SMILES notation for 1-(Benzyloxy)propan-2-one?
The SMILES notation for 1-(Benzyloxy)propan-2-one is CC(=O)COCC1=CC=CC=C1.
Is 1-(Benzyloxy)propan-2-one hazardous?
1-(Benzyloxy)propan-2-one carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.
What are other names for 1-(Benzyloxy)propan-2-one?
1-(Benzyloxy)propan-2-one is also known as (E)-3-Dimethylamino-1-pyridin-3-yl-propenone, 1-(Benzyloxy)-2-propanone, 1-(benzyloxy)acetone, 1-(Benzyloxy)propan-2-one, 1-[(phenylmethyl)oxy]-2-propanone.
Data sourced from PubChem CID 3691284. Last updated .
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