alpha-Amylcinnamyl formate

Base Information

• Chemical Name: alpha-Amylcinnamyl formate
• CAS No.: 7493-79-0
• Molecular Formula: C15H20 O2
• Molecular Weight: 232.32
• Hs Code.: 2918992090
• European Community (EC) Number: 231-341-5
• UNII: 9740KC64G6
• DSSTox Substance ID: DTXSID501009385
• Nikkaji Number: J307.838H
• Wikidata: Q27271960
• Metabolomics Workbench ID: 47265
• Mol file: 7493-79-0.mol

Synonyms:ALPHA-AMYLCINNAMYL FORMATE;7493-79-0;[(2Z)-2-benzylideneheptyl] formate;alpha-Pentylcinnamyl formate;2-(Phenylmethylene)heptyl formate;2-Benzylidene-1-heptyl formate;1-Heptanol, 2-(phenylmethylene)-, formate;UNII-C0W8VHB8GR;1-Heptanol, 2-benzylidene-, formate;2-(Phenylmethylene)-1-heptyl formate;alpha-Amyl-beta-phenylacryl isovalerate;FEMA No. 2066;EINECS 231-341-5;C0W8VHB8GR;alpha-amyl cinnamyl formate;A-AMYLCINNAMYLFORMATE;(Z)-alpha-amylcinnamyl formate;SCHEMBL3505271;FEMA 2066;DTXSID501009385;Formic acid 2-benzylideneheptyl ester;9740KC64G6;(2Z)-2-(phenylmethylidene)heptyl formate;.ALPHA.-AMYLCINNAMYL FORMATE, (Z)-;1-HEPTANOL, 2-(PHENYLMETHYLENE)-, 1-FORMATE;Q27271960

Chemical Property of alpha-Amylcinnamyl formate

Chemical Property:

• Vapor Pressure: 0.000182mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 329.1°C at 760 mmHg
• Flash Point: 152.1°C
• PSA: 26.30000
• Density: 0.997g/cm³
• LogP: 4.45760
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 232.146329876
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

99%, ^*data from raw suppliers

α-Amylcinnamyl formate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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