(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4-pentadienal - CAS 25528-87-4

Catalog:	BB059299
Product Name:	(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4-pentadienal
CAS:	25528-87-4
Synonyms:	(E,E)-3-Methyl-5-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4-pentadienal

Technical Data

IUPAC Name:	(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)penta-2,4-dienal
Description:	(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4-pentadienal is an intermediate in the synthesis of Vitamin A2 series and isomers of Retinal (R240000) for the potential use in vision restoration and reconstitution treatments.
Molecular Weight:	216.32
Molecular Formula:	C15H20O
Canonical SMILES:	CC1=C(C(CC=C1)(C)C)C=CC(=CC=O)C
InChI:	InChI=1S/C15H20O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h5-9,11H,10H2,1-4H3/b8-7+,12-9+
InChI Key:	OJHSBMRFBRXYNM-ANKZSMJWSA-N
Solubility:	Chloroform, DCM, Ethyl Acetate, Ethanol
Appearance:	Yellow Oil
Storage:	Amber Vial, -20°C Freezer, Under inert atmosphere

Complexity:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	216.151415257
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.151415257
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7