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 |
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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 |
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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 |
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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.