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Isopropyl-4-hydroxybenzoat
ISOPROPYL 4-HYDROXYBENZOATE · ISOPROPYL P-HYDROXYBENZOATE · ISOPROPYLPARABEN · Baquiloprim Impurity 1 · ISOPROPYLHYDROXYBENZOATE · Isopropyl 4-hydroxybenzo · 4-(1-Isopropoxyvinyl)phenol · Isopropyl 4-Hydroxubenzoate
Identifikatoren & physikalische Daten
| CAS No. | 4191-73-5 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | CC(C)OC(=O)c1ccc(O)cc1 |
| InChIKey | CMHMMKSPYOOVGI-UHFFFAOYSA-N |
| PubChem CID | 20161 |
| ChEMBL | CHEMBL2333962 |
| ChEBI | CHEBI:179285 |
| EC No. | 224-069-3 |
| DTXSID | DTXSID3052858 |
| Lokaler Name | Isopropyl-4-hydroxybenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 169 |
| Kosmetika | Cosmetic ingredients (Isopropylparaben) -> CIR (Cosmetic Ingredient Review)Preservative |
| SpringerMaterials Properties | Optical coefficient |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 84-86°C |
| Siedepunkt | 160 °C / 5mmHg |
| Dichte | 1.132±0.06 g/cm3(Predicted) |
| Dampfdruck | 0.155Pa at 25℃ |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Soluble in Chloroform, Ethyl Acetate.1.204g/L |
| Aggregatzustand | powder to lump |
| pKa (Säurekonstante) | 8.40±0.15(Predicted) |
| Farbe | White |
| BRN | 2641564 |
| Kosmetik-Inhaltsstoffe Funktionen | PRESERVATIVE |
| LogP (Verteilungskoeffizient) | 2.316 at 25℃ |
| CAS Datenbank | 4191-73-5(CAS DataBase Reference) |
| NIST chemische Informationen | Isopropyl-4-hydroxybenzoate(4191-73-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5% (11 of 221) of reports.DangerH302 (18.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 221 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 4-hydroxy-, 1-methylethyl esterREACH registered substance: Isopropyl 4-hydroxybenzoate (EC: 224-069-3)Isopropyl 4-hydroxybenzoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Parabens: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (18.1%) |
| Toxizitätsübersicht | The CIR Expert Panel concluded that the following 20 parabens are safe in cosmetics in the present practices of use and concentration described in the safety assessment when the sum of the combined concentration of parabens in any given formulation does not exceed 0.8 %...Isopropylparaben...Safe for use in cosmetics, with qualifications |
| Zollcode | 2918290090 |
| RTECS-Nr. | DH2250000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
An antimicrobial