81-13-0
Product Name:
Dexpanthenol
Formula:
C9H19NO4
Synonyms:
Dexpanthenol;Provitamin B;(R)-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide;(R)-2,4-Dihydroxy-3,3-dimethylbutyric 3-hydroxypropylamide;D -Panthenol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Hygroscopic oil |
| Taste | Slightly bitter taste |
| Boiling Point | Decomposes |
| Melting Point | < 25 °C |
| Solubility | Freely soluble in methanol, water, alcohol; slightly soluble in ether |
| Density | 1.2 at 20 °C/20 °C |
| Stability/Shelf Life | Reasonably stable to usual sterilization time and temp in aqueous solution at pH 3.0-4.0; long heating causes racemization. |
| Optical Rotation | Specific optical rotation: +29.5 deg at 20 °C/D (water, 5%) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitric oxide/. |
| pH | pH 9.5 |
| Refractive Index | Index of refraction: 1.497 at 20 °C/D |
| Collision Cross Section | 144.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1807 |
| Other Experimental Properties | The alcohol corresponding to pantothenic acid, with vitamin activity |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 205.25 g/mol |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 205.13140809 g/mol |
| Monoisotopic Mass | 205.13140809 g/mol |
| Topological Polar Surface Area | 89.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 182 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pantothenol is a monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and 4 and a 3-hydroxypropyl group at the carbomyl nitrogen. It has a role as a cholinergic drug and a provitamin. It is an amino alcohol and a monocarboxylic acid amide.