Chemistry informtion about 11-Tetradecenal, (E)-(CAS NO.35746-21-5) is:
IUPAC Name: (E)-tetradec-11-enal
Synonyms: (E)-11-Tetradecenal ; AI3-35931 ; EINECS 252-710-7
Systematic Name: (E)-Tetradec-11-enal ; 11-Tetradecenal, (11E)- ; 11-Tetradecenal, (E)-
Molecular Weight: 210.35564 [g/mol]
Molecular Formula: C14H26O
EINECS: 252-710-7
XLogP3-AA: 5
H-Bond Donor: 0
H-Bond Acceptor: 1
Density: 0.839 g/cm3
Flash Point: 132.7 °C
Enthalpy of Vaporization: 52.93 kJ/mol
Boiling Point: 290 °C at 760 mmHg
Vapour Pressure: 0.00213 mmHg at 25°C
Following is the molecular structure of 11-Tetradecenal, (E)-(CAS NO.35746-21-5) is:
1. | orl-rat LD50:>5000 mg/kg | HBPTO* Handbook of pesticide toxicology. 1 (2001),142. | ||
2. | skn-rbt LD50:>5000 mg/kg | HBPTO* Handbook of pesticide toxicology. 1 (2001),142. | ||
3. | ihl-rat LC50:>16.9 g/m3 | HBPTO* Handbook of pesticide toxicology. 1 (2001),142. |
Low toxicity by ingestion, inhalation, and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Descriptors Computed from Structure about 11-Tetradecenal, (E)-(CAS NO.35746-21-5) is:
IUPAC Name: (E)-tetradec-11-enal
Canonical SMILES: CCC=CCCCCCCCCCC=O
Isomeric SMILES: CC/C=C/CCCCCCCCCC=O
InChI: InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,14H,2,5-13H2,1H3/b4-3+
InChIKey: SPFYVVCZIOLVOK-ONEGZZNKSA-N
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