Grundinformationen
- CAS
17696-62-7- Standard-SMILES
O=C(Oc1ccccc1)c1ccc(O)cc1- InChIKey
GJLNWLVPAHNBQN-UHFFFAOYSA-N- Summenformel
- C13H10O3
- Durchschnittliche Molmasse
- 214,22 g/mol
- Monoisotopische Masse
- 214,06299418
Namen und Bezeichner
- Bevorzugter Name
- Phenylparaben
- IUPAC
- phenyl 4-hydroxybenzoate
- Lokaler Name
- Phenyl-4-hydroxybenzoat
- Englischer Name
- Phenylparaben
- Summenformel
- C13H10O3
- Molmasse
- 214.22
Namen und Synonyme
Phenyl 4-hydroxybenzoate17696-62-7PhenylparabenPhenyl p-hydroxybenzoateBenzoic acid, 4-hydroxy-, phenyl esterDTXSID40478824-(Phenoxycarbonyl)phenolB15A4L4Y1Jp-hydroxybenzoic acid phenyl esterEINECS 241-698-9DTXCID0027858BENZOIC ACID, P-HYDROXY-, PHENYL ESTER
Weitere Namen anzeigen
Phenyl 4-HydrobenzoatePhenyl 4-hydroxybenzoate in methanol4-HYDROXYBENZOIC ACID PHENYL ESTER 99+%4-Hydroxybenzoic Acid Phenyl Ester Phenylparaben
RefChem:861811PHENYLPARABEN [INCI]241-698-94-Hydroxybenzoic Acid Phenyl EsterMFCD00016467Phenyl-4-hydroxybenzoate4-Hydroxy-benzoic acid phenyl ester26220-23-5
Datenbank-Bezeichner
- CAS
17696-62-7- PubChem CID
- 87250
- DTXSID
DTXSID4047882- ChEMBL
CHEMBL3184274- UNII
- B15A4L4Y1J
- EC Number
- 241-698-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
CosmeticsPreservative
SpringerMaterials PropertiesChemical structure
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section150.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4047882]
Physikochemische Eigenschaften
- Schmelzpunkt
- 176 °C · 176 °C
- Siedepunkt
- 391.6 · 391.6±25.0 °C(Predicted)
- Dichte
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- Dampfdruck
- 0.001 Pa · 0.001Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 10.6% (5 of 47) of reports.
Warning
H315 (89.4%): 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 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 07-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26059
Hazard Classes and CategoriesSkin Irrit. 2 (89.4%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2916399090
- risk_code
- 36/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationCosmetics -> Preservative
Anwendungen
VerwendenPhenyl 4-Hydroxybenzoate is a substance for the production of stable exenatide preparations for treating diabetes and obesity. Investigation of drug partition property in artificial sebum for the targeted delivery of therapeutic agent into the hair and sebaceous follicles. In vitro and molecular docking studies on the side chains of parabens as modulators of antiandrogenic activities.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter68 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司
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