Compound Selection

Formula: C10H12O3

MW: 180.2

CAS: 94-13-3

MDL NUMBER: MFCD00002354

IUPAC: propyl 4-hydroxybenzoate

Smiles: C(c1ccc(O)cc1)(=O)OCCC

Liquid

Propyl 4-hydroxybenzoate 99+%

THERAPEUTIC CATEGORY: Antifungal

ACCEPTORS: 3

DONORS: 1

ROTATION BONDS: 4

N+O: 3

Chiral Centers: 0

LogP: 2.78

LogS: -3.5

LIPINSKI: 4

Synonyms: propyl butex;Propyl Chemosept;PROPYL 4-HYDROXYBENZOATE;PROPYLIS PARAHYDROXYBENZOAS;PROPYLPARABEN;PROPYL P-HYDROXYBENZOATE;Propyl p-Jnydroxybenzoate;P-HYDROXYBENZOIC ACID PROPYL ESTER

CAS:94-13-3

MF:C10H12O3

MW:180.2

EINECS:202-307-7

Product Categories:Pharmaceutical Raw Materials;Aromatic Esters Propylparaben

Chemical Properties: mp 95-98 C(lit.) bp 133C density 1.0630 refractive index 1.5050 FEMA 2951 storage temp. 0-6C Water Solubility <0.1 g/100 mL at 12 C Merck 14,7866 BRN 1103245 Stability:Stable. Incompatible with strong oxidizing agents, strong bases.

CAS DataBase Reference: 94-13-3(

CAS DataBase Reference: ) NIST Chemistry ReferenceN-propyl-p-hydroxy-benzoate(94-13-3) EPA Substance Registry SystemBenzoic acid, 4-hydroxy-, propyl ester(94-13-3) Xi Risk Statements 36/37/38 Safety Statements 26-24/25-36 WGK Germany 1 RTECS DH2800000 HS Code 29182930 Hazardous Substances Data94-13-3(Hazardous Substances Data) 4-Hydroxybenzoic acid propyl ester Propylparaben

Usage And Synthesis:

Chemical Properties: white crystalline powder General DescriptionColorless crystals or white powder or chunky white solid. Melting point 95-98C. Odorless or faint aromatic odor. Low toxicity, Tasteless (numbs the tongue). pH: 6.5-7.0 (slightly acidic) in solution. Air & Water ReactionsWater soluble [Hawley]. Reactivity ProfileMaximum stability of Propylparaben occurs at a pH of 4 to 5. Incompatible with alkalis and iron salts. Also incompatible with strong oxidizing agents and strong acids . Fire HazardFlash point data for Propylparaben are not available; however, Propylparaben is probably combustible. Propylparaben

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