AG0003GV

101-86-0 | Octanal, 2-(phenylmethylene)-

AG0003GV

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CAS Number	101-86-0
Catalog Number	AG0003GV(AGN-PC-0JK85O)
Chemical Name	Octanal, 2-(phenylmethylene)-
FEMA Number	2569
IUPAC Name	(2E)-2-benzylideneoctanal
InChI	InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
InChI Key	GUUHFMWKWLOQMM-NTCAYCPXSA-N
MDL Number	MFCD00006989
Molecular Formula	C15H20O
Molecular Weight	216.3187
SMILES	CCCCCC/C(C=O)=C/C1=CC=CC=C1
UNII	E9947QRR9O
Synonyms	2-hexyl-3-phenyl-2-propenal, hexyl cinnamal, hexyl cinnamic aldehyde, hexyl cinnamylaldehyde, Hexyl cinnamic aldehyde, alpha-Hexylcinnamaldehyde, 2-Benzylideneoctanal, Hexylcinnamaldehyde, 101-86-0, (2E)-2-benzylideneoctanal, 2-Hexyl-3-phenyl-2-propenal, UNII-E9947QRR9O, CHEBI:55365, Octanal, 2-(phenylmethylene)-, 2-Hexenyl cynnamaldehyde, 2-(Phenylmethylene)octanal, alpha-Hexylcinnamic aldehyde, (E)-2-benzylideneoctanal, alpha-n-hexylcinnamaldehyde, 2-Hexylcinnamaldehyde, 2-[(E)-benzylidene]octanal, E9947QRR9O, alpha-Hexylcinnamyl aldehyde, GUUHFMWKWLOQMM-NTCAYCPXSA-N, (2E)-2-(phenylmethylidene)octanal, alpha-Hexyl-beta-phenylacrolein, alpha-n-Hexyl-beta-phenylacrolein, .alpha.-Hexylcinnamaldehyde, 165184-98-5, WLN: VHY6 & U1R, n-Hexyl cinnamaldehyde, alpha-hexyl cinnamaldehyde, 2-Hexyl-3-phenyl-propenal, 2-(Phenylmethylidene)octanal, .alpha.-Hexylcinnamic aldehyde, Hexylcinnamal, .alpha.-n-Hexyl-.beta.-phenylacrolein, alpha-Hexylcinnamaldehyde, (2E)-, alpha -hexylcinnamaldehyde, alpha-hexylcinna-maldehyde, Epitope ID:117426, EC 639-566-4, a-Hexylcinnamaldehyde, 8CI, AC1LT45E, 2-(phenylmethylene)-octanal, alpha -hexylcinnamic aldehyde, MLS002174256, Cinnamaldehyde, alpha -hexyl-, SCHEMBL113170, Hexyl Cinnamic Aldehyde Natural, CHEMBL1449245, FEMA 2569, 2-(Phenylmethylene)octanal, 9CI, HMS3039O14, BB_NC-00223, NSC46150, ZINC4705576, alpha -N-hexyl-beta -phenylacrolein, BBL027629, MFCD00006989, NSC-46150, NSC406799, STK709222, (2Z)-2-Hexyl-3-phenyl-2-propenal, AKOS015839664, NSC-406799, RTR-000452, NCGC00090930-01, NCGC00090930-02, alpha -N-hexyl-alpha -hexylcinnamaldehyde, CJ-12229, M559, SMR001261427, BC4125461, ST2409601, TR-000452, alpha-Hexylcinnamaldehyde, technical grade, 85%, alpha-Hexylcinnamaldehyde, >=95%, stabilized, FG, I14-7332, W-108898, 2-(phenylmethylene)octanal (.beta.-hexyl cinnamaldehyde), alpha-Hexylcinnamaldehyde, analytical reference material, UNII-7X6O37OK2I component GUUHFMWKWLOQMM-NTCAYCPXSA-N, hexyl cinnamal, -hexylcinnamaldehyde, hexyl cinnamylaldehyde, alpha-hexylkanelaldehyd, a - hexylcinnamaldehyde, |A-Hexyl cinnamaldehyde, -Hexyl-3-phenyl-propenal, C15H20O, Hexyl cinnamic aldehyde (VAN), UNII-7X6O37OK2I, Cinnamic aldehyde dimethyl acetal, FEMA No. 2569, Cinnamaldehyde, .alpha.-hexyl-, 3-Phenyl-2-propenal dimethyl acetal, CINNAMALDEHYDE, alpha-HEXYL-, CINNAMALDEHYDE, DIMETHYL ACETAL, EINECS 202-983-3, C15-H20-O, CID1550884, NSC 406799, AI3-05096, C080043, C551429, (E)-2-benzylideneoctanal, alpha-Hexyl Cinnamic Aldehyde, (2E)-2-(phenylmethylidene)octanal, alpha-Hexylcinnamaldehyde, 95%, stabilized with 0.075 - 0.3% BHT - 100ML 100ml, HCA,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	216.151g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.324g/mol
Monoisotopic Mass	216.151g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H412
Packing Group
Precautionary statements	P273-P280
UN Code

Certificate of Analysis

Lot Number