Alpha-hexylcinnamaldehyde

• CAS: 101-86-0
• Catalog Number: ACM101860
• Category: Other Products
• Molecular Weight: 216.32
• Molecular Formula: C15H20O
• Synonyms: 2-(Phenylmethylene)-octana
• IUPAC Name: (2E)-2-Benzylideneoctanal
• Canonical SMILES: CCCCCCC(=CC1=CC=CC=C1)C=O
• 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
• Boiling Point: 174-176 °C/15 mmHg(lit.)
• Flash Point: 200 °F
• Density: 0.95 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; miscible in oils
• Appearance: Clear yellow oil
• Storage: -20 °C
• Assay: 0.9999
• Complexity: 212
• Exact Mass: 216.151415257
• Isomeric SMILES: CCCCCC/C(=C\C1=CC=CC=C1)/C=O
• Monoisotopic Mass: 216.151415257
• Odor: Jasmine like odor
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.55(lit.)
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 17.1 Ų

Synthetic Use

Downstream Synthesis Route 1

• 101-86-0
• 100-51-6

• 53892-67-4

Reference: [1]Annales de Chimie (Cachan, France),1938,vol. <11> 10,p. 281,360
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1937,vol. 205,p. 802

Downstream Synthesis Route 2

• 543-82-8
• 101-86-0

• 30121-85-8

Reference: [1]Patent: DE2002491,1970,

Downstream Synthesis Route 3

• 101-86-0
• 106-95-6

• 103826-27-3

Reference: [1]Bulletin of the Chemical Society of Japan,1990,vol. 63,p. 1738 - 1747
[2]Tetrahedron Letters,1985,vol. 26,p. 4211 - 4212

* For details of the synthesis route, please refer to the original source to ensure accuracy.