21834-92-4
Product Name:
Cocal
Formula:
C13H16O
Synonyms:
2-Phenyl-5-methylhex-2-enal;Cocal;cocoa hexenal
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to slightly yellow liquid; Cocoa-like aroma |
|---|---|
| Solubility | Soluble in oils; Insoluble in water |
| Density | 0.970-0.976 |
| Refractive Index | 1.531-1.536 |
| Kovats Retention Index | 1485 1485 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 188.26 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 188.120115130 g/mol |
| Monoisotopic Mass | 188.120115130 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 197 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(2E)-5-methyl-2-phenylhex-2-enal is a member of phenylacetaldehydes.