24720-09-0
Product Name:
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
Formula:
C13H20O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Solubility | 1 ml in 10 ml 95% alcohol (in ethanol) |
Density | 0.928-0.938 |
Refractive Index | 1.492-1.499 |
Kovats Retention Index | 1377 |
COMPUTED DESCRIPTORS
Molecular Weight | 192.30 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 192.151415257 g/mol |
Monoisotopic Mass | 192.151415257 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 282 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone is an enone with a trimethylcyclohexenyl substituent at C-1. It has a role as a fragrance and an allergen.
RELATED SUPPLIERS
Purecha Group (Sonal Plasrub Industries Pvt Ltd)
1Y
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