[2-(Dimethoxymethyl)-1-heptenyl]benzene

Base Information

• Chemical Name: [2-(Dimethoxymethyl)-1-heptenyl]benzene
• CAS No.: 91-87-2
• Molecular Formula: C16H24O2
• Molecular Weight: 248.37
• Hs Code.: 2911005000
• European Community (EC) Number: 202-104-3
• UNII: 7H6D0LNE70
• Wikidata: Q27268286
• Metabolomics Workbench ID: 47277
• Mol file: 91-87-2.mol

Synonyms:[2-(Dimethoxymethyl)-1-heptenyl]benzene;alpha-n-Amylcinnamal dimethylacetal;(2-(Dimethoxymethyl)-1-heptenyl)benzene;(2-(dimethoxymethyl)-1-heptenyl)-Benzene;7H6D0LNE70;2-(Dimethoxymethyl)-1-phenyl-1-Heptene;(Z)-alpha-amylcinnamaldehyde dimethyl acetal;(2-(dimethoxymethyl)-1-hepten-1-yl)-Benzene;[2-(Dimethoxymethyl)-1-heptenyl]benzene, 9CI;[(1Z)-2-(dimethoxymethyl)hept-1-en-1-yl]benzene;Q27268286;.ALPHA.-AMYLCINNAMALDEHYDE DIMETHYL ACETAL, (Z)-;BENZENE, (2-(DIMETHOXYMETHYL)-1-HEPTEN-1-YL)-, (Z)-

Chemical Property of [2-(Dimethoxymethyl)-1-heptenyl]benzene

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• Boiling Point: 341°C at 760 mmHg
• Flash Point: 119.9°C
• PSA: 18.46000
• Density: 0.959g/cm³
• LogP: 4.26920
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 248.177630004
• Heavy Atom Count: 18
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

α-Amylcinnamaldehyde dimethyl acetal United States Pharmacopeia (USP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=CC1=CC=CC=C1)C(OC)OC
• Isomeric SMILES: CCCCC/C(=C/C1=CC=CC=C1)/C(OC)OC