Basic information
- CAS
104809-67-8- Standard SMILES
CC(=O)c1ccccc1O- InChIKey
JECYUBVRTQDVAT-UHFFFAOYSA-N- Molecular formula
- C8H8O2
- Average molar mass
- 136.15 g/mol
Overview
2-acetylphenol is a monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. It has a role as a flavouring agent. It is a monohydroxyacetophenone and a member of phenols.
Names & identifiers
- Preferred name
- 2'-Hydroxyacetophenone
- IUPAC
- 1-(2-hydroxyphenyl)ethanone
- English name
- 2'-Hydroxyacetophenone
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15
Names & synonyms
2'-Hydroxyacetophenone118-93-41-(2-Hydroxyphenyl)ethanone2-AcetylphenolO-HYDROXYACETOPHENONE1-(2-Hydroxyphenyl)Ethan-1-Oneo-Hydroxyphenyl methyl ketone2-Hydroxyphenyl methyl ketoneEthanone, 1-(2-hydroxyphenyl)-Methyl 2-hydroxyphenyl ketoneFEMA No. 3548DTXSID7040285
Show more names
FEMA 3548AKOS 90575O-ACETOPHENOL2-ACETOPHENOLAKOS BBS-00003239Ethanone,1-(2-hydroxyphenyl)-, labeled with carbon-14 (9CI)
NSC-169333E533Z76W0DTXCID5020285CHEBI:145716RefChem:908432204-288-02-hydroxy-1-phenyl-ethanone2-hydroxy-1-phenylethanone
Database identifiers
- CAS
104809-67-8- ChEMBL
CHEMBL3187012- ChEBI
CHEBI:145716- UNII
- 3E533Z76W0
- EC Number
- 204-288-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2-Hydroxyacetophenone) -> IFRA transparency List
LogP
1.92
1.88
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.127-1.133
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in fat
miscible (in ethanol)
Boiling Point
213.00 °C. @ 717.00 mm Hg
215-220 °C
Melting Point4 - 6 °C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 70.5% (177 of 251) of all reports.
Warning
H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 251 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(2-hydroxyphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(2-hydroxyphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-(2-hydroxyphenyl)- 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)
Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19594
Ethanone, 1-(2-hydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Intraperitoneal LD50 (mouse) = 100 mg/kg; [RTECS] Safe when used as a flavoring agent in food; [EFSA] A skin and strong eye irritant; Depending on severity of exposure, effects range from mild irritation to destruction of tissue; [Sigma-Aldrich MSDS] See Acetophenone.
Hazard Classes and CategoriesAcute Tox. 4 (10.4%)
Toxicology
Chemistry & industry
Pharmacology
Metabolism/Metabolites2'-Hydroxyacetophenone is a known human metabolite of 2'-methoxyacetophenone.
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA]
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesOther
Industry UsesOther
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanone, 1-(2-hydroxyphenyl)-: ACTIVE
Suppliers38 total
常州市弘裕化工有限公司0519-89996110 13813691203 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Syntechem Co.,Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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