7549-37-3
Product Name:
1,1-Dimethoxy-3,7-dimethylocta-2,6-diene
Formula:
C12H22O2
Synonyms:
3,7-Dimethyl-2,6-octadienal dimethyl acetal
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to yellowish liquid with a mild, fresh, citrus, herbaceous odour |
|---|---|
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Density | 0.881-0.893 |
| Refractive Index | 1.450-1.463 |
| Kovats Retention Index | 1051 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 198.30 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 198.161979940 g/mol |
| Monoisotopic Mass | 198.161979940 g/mol |
| Topological Polar Surface Area | 18.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 196 |
| 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
Citral dimethyl acetal is a monoterpenoid that is the acetal obtained by formal condensation of citral with methanol. It is an acetal, an olefinic compound and a monoterpenoid. It is functionally related to a citral.