Basic information
- CAS
6698-70-0- Standard SMILES
CC(=O)COc1ccc(C)cc1- InChIKey
AXBFJBYBUMAYDP-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- p-Tolyloxyacetone
- IUPAC
- 1-(4-methylphenoxy)propan-2-one
- English name
- 1-(4-Methylphenoxy)-2-propanone
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
p-Tolyloxyacetone2-Propanone, 1-(4-methylphenoxy)-1-(4-METHYLPHENOXY)-2-PROPANONE2-Propanone, 1-(p-tolyloxy)-DX6C8HP22AUNII-DX6C8HP22ANSC 211878NSC-2118781-(4-TOLYLOXY)ACETONE(4-METHYLPHENOXY)ACETONEDTXSID10644552-PROPANONE, (P-TOLYLOXY)-
Show more names
4-Methylphenoxyacetone1-p-Tolyloxy-propan-2-one
RefChem:169399DTXCID10448516698-70-01-(P-TOLYLOXY)PROPAN-2-ONE1-(4-methylphenoxy)propan-2-oneMFCD06659694NSC211878(4-methylphenoxy)propan-2-one
Database identifiers
- CAS
6698-70-0- PubChem CID
- 81195
- DTXSID
DTXSID1064455- ChEMBL
CHEMBL3249559- UNII
- DX6C8HP22A
- Nikkaji
- J421.828K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- FDA UNII
- 6 C8HP22A · DX6C8HP22A
- EPA Substance Registry System
- 2 · 2-Propanone, 1-(4-methylphenoxy)- (6698-70-0)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 2-Propanone, 1-(4-methylphenoxy)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanone, 1-(4-methylphenoxy)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers4 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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