p-Acetylphenyl acetate

HCID 83063CAS 13031-43-1
Substructure searchFind similar structures

Basic information

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

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

Safety & regulation

Hazard information

Regulatory Information · 2 items

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

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,284,983 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海淖沁生物科技有限公司400-1125320 13774248860 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Additional notes

DefinitionChEBI: A methyl ketone that is acetophenone substituted by an acetoxy group at position 4.

Related reactions

36 records
New reaction record

Linked notes

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