Benzoic acid, 4-(acetyloxy)-

HCID 16865CAS 2345-34-8
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Grundinformationen

Standard-SMILES
CC(=O)Oc1ccc(C(=O)O)cc1
InChIKey
GDBUZIKSJGRBJP-UHFFFAOYSA-N
Summenformel
C9H8O4
Durchschnittliche Molmasse
180,16 g/mol
Monoisotopische Masse
180,04225874

Überblick

4-acetoxy benzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by an acetoxy group at position 4. It is a member of phenyl acetates and a member of benzoic acids.

Namen und Bezeichner

Bevorzugter Name
Benzoic acid, 4-(acetyloxy)-
IUPAC
4-acetyloxybenzoic acid
Englischer Name
4-Acetoxybenzoic acid
Summenformel
C9H8O4
Molmasse
180.16

Namen und Synonyme

4-ACETOXYBENZOIC ACID2345-34-8Benzoic acid, 4-(acetyloxy)-p-Acetoxybenzoic acidp-Acetyloxybenzoic acidp-Carboxyphenyl acetateBenzoic acid, p-hydroxy-, acetateAI3-20213NSC 11340EINECS 219-066-9RefChem:565908219-066-9
Weitere Namen anzeigen
LR-674-acetyloxybenzoateRARECHEM AL BE 00824-Acetoxybenzoic aci4-Acetate-benzoic acid
4-(Acetyloxy)benzoic acid4-Carboxyphenyl acetate4-Acetoxy benzoic acidp-Hydroxybenzoic acid acetate4-acetyloxybenzoic acid4-AcetoxybenzoicacidMFCD000025404-Acetoxy-benzoic acid

Datenbank-Bezeichner

CAS
2345-34-8
PubChem CID
16865
DTXSID
DTXSID1062334
ChEMBL
CHEMBL131987
ChEBI
CHEBI:86560
UNII
5L73XP7H9J
EC Number
219-066-9
Nikkaji
J120.950G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
63,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt
190 · 190-194 °C (lit.)
Siedepunkt
272.96 °C · 272.96°C (rough estimate)
Dichte
1.2933 · 1.2933 (rough estimate)
Brechungsindex
1.45 · 1.4500 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
almost transparency in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Benzoic acid, 4-(acetyloxy)-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29189900
risk_code
36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36-37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 4-(acetyloxy)-: ACTIVE

Anwendungen

Verwenden4-Acetoxybenzoic acid has been used in the preparation of poly(4-hydroxybenzoate).

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 4-acetoxy benzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by an acetoxy group at position 4. It is a member of benzoic acids and a member of phenyl acetates.

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