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105-91-9

Basic Information
CAS No.: 105-91-9
Name: 2,6-Octadien-1-ol,3,7-dimethyl-, 1-propanoate, (2Z)-
Article Data: 7
Molecular Structure:
Molecular Structure of 105-91-9 (2,6-Octadien-1-ol,3,7-dimethyl-, 1-propanoate, (2Z)-)
Formula: C13H22 O2
Molecular Weight: 210.316
Synonyms: 2,6-Octadien-1-ol,3,7-dimethyl-, propanoate, (2Z)- (9CI); 2,6-Octadien-1-ol, 3,7-dimethyl-,propanoate, (Z)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (Z)- (8CI);2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, cis- (7CI);(Z)-3,7-Dimethyl-2,6-octadien-1-ol propanoate; Nerol propionate; Nerylpropanoate; Neryl propionate
EINECS: 203-345-7
Density: 0.9 g/cm3
Boiling Point: 282.4 °C at 760 mmHg
Flash Point: 97.7 °C
Solubility: Insoluble in water; soluble in alcohol
Appearance: colorless liquid
Safety: Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 26.30000
LogP: 3.63230
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Chemistry

Chemistry informtion about Neryl Propionate (CAS NO.105-91-9) is:
IUPAC Name: [(2z)-3,7-Dimethylocta-2,6-Dienyl] Propanoate
Synonyms: Fema 2777 ; Neryl Propionate ; 2,6-Octadien-1-Ol, 3,7-Dimethyl-, Propionate, (Z)- ; 3,7-Dimethyl-,Propanoate,(Z)-6-Octadien-1-Ol ; 3,7-Dimethyl-,Propionate,(Z)-6-Octadien-1-Ol ; 6-Octadien-1-Ol,3,7-Dimethyl-,Propanoate,(Z)-2 ; Cis-3,7-Dimethyl-2,6-Octadien-1-Ol, Propionate ; Cis-3,7-Dimethyl-2,6-Octadien-1-Ol,Propionate
MF: C13H22O2
MW: 210.31
EINECS: 203-345-7 
Density: 0.9 g/cm3
Flash Point: 97.7 °C
Boiling Point: 282.4 °C at 760 mmHg  
FEMA: 2777 
Vapour Pressure: 0.00336 mmHg at 25°C
Enthalpy of Vaporization: 52.13 kJ/mol
Following is the molecular structure of Neryl Propionate (CAS NO.105-91-9) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 629, 1976.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 629, 1976.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Safety Statements:
S2:Keep out of the reach of children. 
S24/25:Avoid contact with skin and eyes.

Specification

 Neryl Propionate (CAS NO.105-91-9) is a colorless to pale yellow clear liquid.