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56797-40-1

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Basic Information
CAS No.: 56797-40-1
Name: AI3-35586
Molecular Structure:
Molecular Structure of 56797-40-1 (AI3-35586)
Formula: C16H30O
Molecular Weight: 238.41
Synonyms: Z-7-hexadecenal;hexadec-7c-enal;
Density: 0.84g/cm3
Boiling Point: 330.9°Cat760mmHg
Flash Point: 161.5°C
Hazard Symbols: Low toxicity by ingestion.
Safety: Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 17.07000
LogP: 5.44260
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Chemistry

Product Name: (Z)-7-Hexadecenal  
CAS Registry Number: 56797-40-1
Synonyms: (Z)-7-Hexadecenal ; AI3-35586 
Systematic Name: 7-Hexadecenal, (7Z)- ; 7-Hexadecenal, (Z)-
IUPAC Name: (Z)-hexadec-7-enal
Molecular Formula: C16H30O
Molecular Weight: 238.4088 
XLogP3-AA: 6.1
Surface Tension: 30.2 dyne/cm
Density: 0.84 g/cm3
Flash Point: 161.5 °C
Enthalpy of Vaporization: 57.36 kJ/mol
Boiling Point: 330.9 °C at 760 mmHg
Vapour Pressure: 0.000161 mmHg at 25°C 
Following is the molecular structure of (Z)-7-Hexadecenal (CAS NO.56797-40-1) is:

Toxicity Data With Reference

1.    

orl-rat LD50:>5000 mg/kg

     HBPTO*    Handbook of pesticide toxicology. 1 (2001),142.

Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

Descriptors computed from structure, you can know some information about (Z)-7-Hexadecenal (CAS NO.56797-40-1) :
Canonical SMILES: CCCCCCCCC=CCCCCCC=O
Isomeric SMILES: CCCCCCCC/C=C\CCCCCC=O
InChI: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3/b10-9-
InChIKey: BLJFSPZWKBTYHR-KTKRTIGZSA-N
Exact Mass: 238.229666
MonoIsotopic Mass: 238.229666
Topological Polar Surface Area: 17.1
Heavy Atom Count: 17