Grundinformationen
- Standard-SMILES
CCCCC(CC)COC(=O)c1ccc(N)cc1- InChIKey
ZJQXUTDROPGVLH-UHFFFAOYSA-N- Summenformel
- C15H23NO2
- Durchschnittliche Molmasse
- 249,35 g/mol
- Monoisotopische Masse
- 249,17287898
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethylhexyl 4-aminobenzoate
- IUPAC
- 2-ethylhexyl 4-aminobenzoate
- Englischer Name
- p-Aminobenzoesure-2-ethylhexylester
- Summenformel
- C15H23NO2
- Molmasse
- 249.35
Namen und Synonyme
2-ethylhexyl 4-aminobenzoate26218-04-22-ethylhexyl p-aminobenzoate7CHI67POY6UNII-7CHI67POY62-ethylhexyl4-aminobenzoateBenzoic acid, 4-amino-, 2-ethylhexyl esterP-AMINOBENZOIC ACID 2-ETHYLHEXYL ESTEREC 420-170-3RefChem:86974420-170-3607-885-8
Weitere Namen anzeigen
Etone AminePABA Ethylhexyl EsterOctyl p-AminobenzoateIsoctyl p-aminobenzoateIsooctyl para aminobenzoatep-Aminobenzoicacidisooctylester2–ethylhexyl P-aminobenzoate 99%Amino benzoic acid Isooctyl EsterP-Aminobenzoesure-2-ethylexylester
p-Aminobenzoesure-2-ethylhexylester2-ethylhexyl-4-aminobenzoateMFCD13340006SCHEMBL3372196SCHEMBL10180373MSK3425DTXSID801309631BBA21804
Datenbank-Bezeichner
- CAS
26218-04-2- PubChem CID
- 11436614
- DTXSID
DTXSID801309631- UNII
- 7CHI67POY6
- EC Number
- 420-170-3、607-885-8
- Nikkaji
- J594.318C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 52,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 235
Physikochemische Eigenschaften
- Siedepunkt
- 385 · 385.0±15.0 °C(Predicted)
- Dichte
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 2.37 · 2.37±0.10(Predicted)
- Aggregatzustand
- Low-Melting Solid
- Farbe
- Pale Orange to Brown
- Stabilität
- Air Sensitive, Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C15H23NO2/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3
- InChIKey
- ZJQXUTDROPGVLH-UHFFFAOYSA-N
- SMILES
- C(OCC(CC)CCCC)(=O)C1=CC=C(N)C=C1
- EPA chemische Informationen
- 4 · Benzoic acid, 4-amino-, 2-ethylhexyl ester (26218-04-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H319 (78.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16248
Hazard Classes and Categories
Eye Irrit. 2 (78.9%)
Eye Irrit. 2 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
Sicherheitsdaten
- wgk
- WGK 2
- hs_code
- 2922493800
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
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