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29804-22-6

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Basic Information
CAS No.: 29804-22-6
Name: (+/-)-CIS-7,8-EPOXY-2-METHYLOCTADECANE
Article Data: 16
Molecular Structure:
Molecular Structure of 29804-22-6 ((+/-)-CIS-7,8-EPOXY-2-METHYLOCTADECANE)
Formula: C19H38 O
Molecular Weight: 282.51
Synonyms: Octadecane,7,8-epoxy-2-methyl-, cis- (8CI); Oxirane, 2-decyl-3-(5-methylhexyl)-, cis-;(Z)-7,8-Epoxy-2-methyloctadecane; (?à)-Disparlure; (?à)-cis-Disparlure; 7,8-cis-Epoxy-2-methyloctadecane; Atralymon; Disparlure;ENT 34886; Epoxan; cis-7,8-Epoxy-2-methyloctadecane
Density: 0.844g/cm3
Boiling Point: 340.6°Cat760mmHg
Flash Point: 139.7°C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 12.53000
LogP: 6.50100
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Chemistry

IUPAC Name: (2R,3S)-2-Decyl-3-(5-Methylhexyl)oxirane   
Following is the structure of cis-7,8-Epoxy-2-methyloctadecane (CAS NO.29804-22-6):
                  
Empirical Formula: C19H38O
Molecular Weight: 282.5044 g/mol
EINECS: 249-861-6 
Density: 0.844 g/cm3
Flash Point: 139.7 °C
Index of Refraction: 1.448
Surface Tension: 30.7 dyne/cm
Enthalpy of Vaporization: 56.1 kJ/mol
Boiling Point: 340.6 °C at 760 mmHg
Vapour Pressure of cis-7,8-Epoxy-2-methyloctadecane (CAS NO.29804-22-6): 0.000168 mmHg at 25 °C
Canonical SMILES: CCCCCCCCCCC1C(O1)CCCCC(C)C
Isomeric SMILES: CCCCCCCCCC[C@@H]1[C@@H](O1)CCCCC(C)C
InChI: InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1
InChIKey: HFOFYNMWYRXIBP-MOPGFXCFSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:>34,600 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 31 (1975),421.
2.    

ihl-rat LC50:>5000 mg/m3

     TXAPA9    Toxicology and Applied Pharmacology. 31 (1975),421.
3.    

skn-rbt LD50:>2025 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 31 (1975),421.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately is toxic by skin contact. Low toxicity by ingestion. When heated to decomposition, cis-7,8-Epoxy-2-methyloctadecane (CAS NO.29804-22-6) emits acrid smoke and irritating vapors.

Specification

 cis-7,8-Epoxy-2-methyloctadecane , its cas register number is 29804-22-6. It also can be called (+-)-Disparlure ; (+-)-cis-Disparlure ; (Z)-7,8-Epoxy-2-methyloctadecane ; Atralymon ; Disparlure ;Epoxan ; cis-2-Decyl-3-(5-methylhexyl)oxirane ; cis-7,8-Epoxy-2-methyloctadecane ; and Disparlure (2S-cis) . Its classification code are Agricultural Chemical; Insect attractant, repellent and chemosterilant; Insecticide and Pheromone.