Grundinformationen
- CAS
5153-25-3- Standard-SMILES
CCCCC(CC)COC(=O)c1ccc(O)cc1- InChIKey
VTIMKVIDORQQFA-UHFFFAOYSA-N- Summenformel
- C15H22O3
- Durchschnittliche Molmasse
- 250,33 g/mol
- Monoisotopische Masse
- 250,15689456
Überblick
2-Ethylhexyl-4-hydroxybenzoate is a benzoate ester.
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethylhexyl p-hydroxybenzoate
- IUPAC
- 2-ethylhexyl 4-hydroxybenzoate
- Lokaler Name
- 2-Ethylhexyl-4-hydroxybenzoat
- Englischer Name
- 2-Ethylhexyl 4-hydroxybenzoate
- Summenformel
- C15H22O3
- Molmasse
- 250.33
Namen und Synonyme
2-Ethylhexyl 4-hydroxybenzoate5153-25-32-Ethylhexyl p-hydroxybenzoateBenzoic acid, 4-hydroxy-, 2-ethylhexyl ester4-Hydroxybenzoic Acid 2-Ethylhexyl Ester2-Methylhexyl p-hydroxybenzoateDTXSID4022525EINECS 225-925-90XG05SSB3GAI3-03405J151.186FDTXCID802525
Weitere Namen anzeigen
OCTYLPARABENLM256 PO2-NPGDA2-octyl 4-hydroxybenzoate2-Methylhexylp-hydroxybenzoate2-Ethylhexyl p-Hydrocybenzoate2-Ethylhexyl4-Hydroxybenzoate>4-HYDROXYBENZOIC ACID OCTYL ESTER
BENZOIC ACID, P-HYDROXY-, 2-ETHYLHEXYL ESTERRefChem:471999225-925-92-ethylhexyl-4-hydroxybenzoate2-EthylhexylparabenMFCD000164722-Ethylhexyl4-hydroxybenzoateCAS-5153-25-3
Datenbank-Bezeichner
- CAS
5153-25-3- PubChem CID
- 107377
- DTXSID
DTXSID4022525- ChEMBL
CHEMBL3183756- ChEBI
CHEBI:34274- UNII
- 0XG05SSB3G
- EC Number
- 225-925-9
- Nikkaji
- J151.186F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 232
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section169.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4022525]
Physikochemische Eigenschaften
- Siedepunkt
- 270 °C/50mmHg · 270°C/50mmHg(lit.)
- Dichte
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.519 to · 1.5190 to 1.5220
- Aggregatzustand
- clear liquid
- pka
- 8.2 · 8.20±0.15(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- LogP
- 5.292 · 5.292 (est)
- CAS Datenbank
- 5153 · 5153-25-3(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester (5153-25-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester
Other Safety InformationIMAP assessments - Parabens: Environment tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2918290090
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzoic acid, 4-hydroxy-, 2-ethylhexyl ester: ACTIVE
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