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105-90-8

Basic Information
CAS No.: 105-90-8
Name: 2,6-Octadien-1-ol,3,7-dimethyl-, 1-propanoate, (2E)-
Article Data: 13
Molecular Structure:
Molecular Structure of 105-90-8 (2,6-Octadien-1-ol,3,7-dimethyl-, 1-propanoate, (2E)-)
Formula: C13H22O2
Molecular Weight: 210.316
Synonyms: 2,6-Octadien-1-ol,3,7-dimethyl-, propanoate, (2E)- (9CI);2,6-Octadien-1-ol, 3,7-dimethyl-,propanoate, (E)-;2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)- (8CI);Propionic acid, geranyl ester (6CI);(E)-3,7-Dimethyl-2,6-octadien-1-olpropanoate;Geraniol propanoate;Geraniol propionate;Geranyl propanoate;trans-3,7-Dimethyl-2,6-octadienyl propionate;
EINECS: 203-344-1
Density: 0.901 g/cm3
Boiling Point: 282.425 °C at 760 mmHg
Flash Point: 97.655 °C
Solubility: 2.22mg/L at 25℃
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 26.30000
LogP: 3.63230
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Chemistry

IUPAC Name: 3,7-Dimethylocta-2,6-dienyl propanoate
CAS: 105-90-8
Formula : C13H22O2
Molecular Weight: 210.31
Molecular Structure of  3,7-Dimethylocta-2,6-dienyl propanoate (105-90-8):



Density: 0.9 g/cm
Flash Point: 97.7 °C
Boiling Point: 282.4 °C at 760 mmHg
Index of Refraction: 1.459 
Molar Refractivity: 63.85 cm3 
Molar Volume: 233.4 cm
Polarizability: 25.31×10-24cm3 
Surface Tension: 28.8 dyne/cm 
Enthalpy of Vaporization: 52.13 kJ/mol 
Vapour Pressure: 0.00336 mmHg at 25°C 
Water Solubility: 2.22(mg/L) at 25°C
Product Categories: certified natural productsflavors and fragrances;alphabetical listings;flavors and fragrances;G-H.

Toxicity Data With Reference

1.    

orl-rat LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 12 (1974),897.
2.    

skn-rbt LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 12 (1974),897.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information about 3,7-Dimethylocta-2,6-dienyl propanoate (105-90-8):
Hazard Codes:
Xi:
Risk Statements about 3,7-Dimethylocta-2,6-dienyl propanoate (105-90-8):
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements about 3,7-Dimethylocta-2,6-dienyl propanoate (105-90-8):
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany; 2
RTECS: RG5927906

Specification

  The chemical synonyms of 3,7-Dimethylocta-2,6-dienyl propanoate (105-90-8) are 3,7-Dimethyl-2,6-octadien-1-yl n-propionate ; 2,6-Dimethyl octadien-6-yl-8-n-propionate ; Geranyl propionate ; Fema 2517 ; (2Z)-3,7-Dimethyl-2,6-octadienyl propionate ; (e)-3,7-Dimethyl-2,6-octadien-1-olpropionate ; 2,6-Octadien-1-o1, 3,7-dimethyl-, propanoate, (E)- .