3-Hydroxyacetophenone

HCID 8487CAS 121-71-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1cccc(O)c1
InChIKey
LUJMEECXHPYQOF-UHFFFAOYSA-N
Molecular formula
C8H8O2
Average molar mass
136.15 g/mol
Monoisotopic mass
136.0524295

Overview

structure in first source

Names & identifiers

Preferred name
3-Hydroxyacetophenone
IUPAC
1-(3-hydroxyphenyl)ethanone
English name
3'-Hydroxyacetophenone
Molecular formula
C8H8O2
Molecular weight
136.15

Names & synonyms

3'-Hydroxyacetophenone121-71-13-Hydroxyacetophenone3-ACETYLPHENOLAcetophenone, 3'-hydroxy-UV3GO1D90JNSC-2440DTXSID5059533RefChem:90427DTXCID0033679204-494-01-(3-Hydroxyphenyl)ethanone
Show more names
3-ACETOPHENOL3-HydroxyacetophenonMETA-HYDROXYACETOPHENONE3-HAP
m-Hydroxyacetophenone1-(3-Hydroxyphenyl)ethan-1-onem-AcetylphenolEthanone, 1-(3-hydroxyphenyl)-MFCD00002298NSC 24403-hydroxy acetophenone3-HYDROXY-ACETOPHENONE

Database identifiers

CAS
121-71-1
PubChem CID
8487
DTXSID
DTXSID5059533
ChEMBL
CHEMBL404719
UNII
UV3GO1D90J
EC Number
204-494-0
Nikkaji
J60.314G

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
Vapor Pressure0.00748 [mmHg]
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
90 · 90-95 °C(lit.)
Boiling point
296 °C · 296 °C(lit.)
Density
1.1 g/mL · 1.1 g/mL at 25 °C(lit.)
vapor pressure
0.022 Pa · 0.022Pa at 25℃
refractive index
1 · 1,534
Flash point
296 °C · 296°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (27.6%): 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 156 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18625
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Acetophenone.
Hazard Classes and CategoriesAcute Tox. 4 (27.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29143990
risk_code
22-36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(3-hydroxyphenyl)-: ACTIVE
Applications · 5 items

Description3’-Hydroxyacetophenone is a chemical compound and it is a component of castoreum, the exudate from the castor sacs of the mature beaver. It is used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.

UsesUseful in the preparation of chalcones, flavonoids, and phenylephrine. It is an active component of castoreum, which is used as a tincture in some perfumes and as a food additive.

Uses3’Hydroxyacetophenone is a chemical reagent used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.

Uses3Hydroxyacetophenone is used in the preparation of chalcones and flavonoids, which finds application as an anti-tuberculosis agent and antileishmanial chaocones. It is also involved in the preparation of phenylephrine. Further, it is an active component of castoreum, which is used as a tincture in some perfumes and as a food additive.

General Description3′-Hydroxyacetophenone is an hydroxy-substituted alkyl phenyl ketone.

Preparation methods

PreparationPreparation by diazotization of 3-aminoacetophenone, followed by hydrolysis of the obtained diazonium salt (78–82%).

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

209 records
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Linked notes

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