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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