p-Acetylphenyl acetate
Basic information
- CAS
13031-43-1- Standard SMILES
CC(=O)Oc1ccc(C(C)=O)cc1- InChIKey
SMIOEQSLJNNKQF-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Overview
4-acetoxy acetophenone is a methyl ketone that is acetophenone substituted by an acetoxy group at position 4. It is a member of phenyl acetates and a member of acetophenones. It is functionally related to an acetophenone.
Names & identifiers
- Preferred name
- p-Acetylphenyl acetate
- IUPAC
- (4-acetylphenyl) acetate
- English name
- 4-Acetoxyacetophenone
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
4-Acetylphenyl acetate4'-Acetoxyacetophenone4-Acetoxyacetophenonep-Acetylphenyl acetate(4-acetylphenyl) acetateEthanone, 1-[4-(acetyloxy)phenyl]-Ethanone, 1-(4-(acetyloxy)phenyl)-DTXSID9044534EO1XK390JFNSC-41974EINECS 235-894-3NSC 41974
Show more names
AI310544AI3 10544AKOS BBS-00003231TIMTEC-BB SBB0057804-ACETYLPHENYL ACETA
AI3-10544DTXCID7024534ACETOPHENONE, 4'-HYDROXY-, ACETATERefChem:857969235-894-313031-43-1p-Acetoxyacetophenone4-acetoxy acetophenone
Database identifiers
- CAS
13031-43-1- PubChem CID
- 83063
- DTXSID
DTXSID9044534- ChEMBL
CHEMBL2271145- ChEBI
CHEBI:86558- UNII
- EO1XK390JF
- EC Number
- 235-894-3
- Nikkaji
- J270.068I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
LogP1.29
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 51 · 51-55 °C
- Boiling point
- 165 · 165-170°C 14mm
- Density
- 1.1601 · 1.1601 (rough estimate)
- refractive index
- 1.537 · 1.5370 (estimate)
- Flash point
- 165 · 165-170°C/14mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Orange to Green
- Water Solubility
- Slightly soluble in water(4450 mg/L).
- BRN
- 2093080 · 2093080
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Ethanone, 1-[4-(acetyloxy)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-[4-(acetyloxy)phenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- hs_code
- 29145090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-22
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,284,983 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Material and Resin Manufacturing
Ethanone, 1-[4-(acetyloxy)phenyl]-: ACTIVE
Applications
Uses4'-Acetoxyacetophenone it can react with ethane-1,2-diol to get 2-(4-acetoxyphenyl)-2-methyl-1,3-dioxolane with yield is 67 %.
Preparation methods
PreparationPreparation by acetylation of 4-hydroxyacetophenone with acetic anhydride, in the presence of aluminium triflate for 10 min at r.t. (98%); in the presence of sodium acetate.
Upstream & downstream products
Upstream raw materials
Related reactions
36 records
Compound notes
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