(2E,4E,6E)-2,4,6-Nonatrien-1-ol - CAS 204014-48-2

Catalog:	BB056682
Product Name:	(2E,4E,6E)-2,4,6-Nonatrien-1-ol
CAS:	204014-48-2
Synonyms:	(2E,4E,6E)-Nona-2,4,6-trien-1-ol; 2,4,6-Nonatrien-1-ol

Technical Data

IUPAC Name:	(2E,4E,6E)-nona-2,4,6-trien-1-ol
Description:	(2E,4E,6E)-2,4,6-Nonatrien-1-ol is an intermediate in the synthesis of (2E,4E,6E)-2,4,6-Nonatrienal which is an unsaturated aldehyde that is a natural volatile constituent of aggregation pheromones produced by male flea beetles. (2E,4E,6E)-2,4,6-Nonatrienal is also found in licorice root, one of the widely used herbs for its
Molecular Weight:	138.21
Molecular Formula:	C9H14O
Canonical SMILES:	CCC=CC=CC=CCO
InChI:	InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-8,10H,2,9H2,1H3/b4-3+,6-5+,8-7+
InChI Key:	SYZGODUASCDZAL-ARQDATDDSA-N
Melting Point:	209-212°C
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	- 86°C, Inert atmosphere, Light sensitive
References:	Zilkowski, B., et al. J. Agr. Food Chem., 56, 4982 (2008).

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	3
Exact Mass:	138.104465066
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.104465066
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1