120-57-0
Product Name:
Piperonyl aldehyde
Formula:
C8H6O3
Synonyms:
1,3-Benzodioxole-5-carboxaldehyde;3,4-(Methylenedioxy)benzaldehyde;Heliotropin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Piperonal appears as colorless lustrous crystals. (NTP, 1992) |
|---|---|
| Color/Form | Colorless, lustrous crystals |
| Odor | Heliotrope odor |
| Taste | Bittersweet taste |
| Boiling Point | 505 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 99 °F (NTP, 1992) |
| Solubility | Slightly soluble (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 189 °F (NTP, 1992) |
| LogP | log Kow = 1.05 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| pH | Solution (1 to 10) acid to litmus |
| Kovats Retention Index | 1305 1285.1 1285.4 1292.2 1370 1305 |
| Other Experimental Properties | Acid value: 3.0; Assay: 98.0% min |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 150.13 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 150.031694049 g/mol |
| Monoisotopic Mass | 150.031694049 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Piperonal appears as colorless lustrous crystals. (NTP, 1992)