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1113-21-9

Basic Information
CAS No.: 1113-21-9
Name: Geranyl linalool
Article Data: 11
Molecular Structure:
Molecular Structure of 1113-21-9 (Geranyl linalool)
Formula: C20H34O
Molecular Weight: 290.489
Synonyms: 1,6,10,14-Hexadecatetraen-3-ol,3,7,11,15-tetramethyl-, (E,E)- (8CI);(E,E)-Geranyllinalool;Geranyllinalool;Linalool, geranyl-;
EINECS: 214-201-8
Density: 0.876 g/cm3
Melting Point: 51oC
Boiling Point: 389.9 °C at 760 mmHg
Flash Point: 124.4 °C
Solubility: insoluble in water
Appearance: clear colourless to pale yellowish liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 20.23000
LogP: 6.12280
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Chemistry

IUPAC Name: (3R,6E,10E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol
CAS: 1113-21-9
Formula  : C20H34O
Molecular Weight: 290.48
Molecular Structure of (3R,6E,10E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol ( 1113-21-9): 

Density: 0.876 g/cm
Flash Point: 124.4 °C
Boiling Point: 389.9 °C at 760 mmHg
Appearance: clear colourless to pale yellowish liquid
Index of Refraction: 1.488
Boiling Point: 250 °C 
Molar Refractivity: 95.63 cm3 
Molar Volume: 331.5 cm3 
Polarizability: 37.91×10-24cm3 
Surface Tension: 30.4 dyne/cm 
Enthalpy of Vaporization: 73.92 kJ/mol 
Vapour Pressure: 1.09E-07 mmHg at 25°C 
Water Solubility: 0.006982(mg/L) at 25°C
Product Categories: biochemistry;terpenes;terpenes.

Toxicity Data With Reference

1.    

skn-rbt 500 mg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),41S.
2.    

eye-rbt 100 mg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),41S.
3.    

orl-rat LD50:>5 g/kg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),41S.
4.    

ipr-mus LD50:>2 g/kg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),41S.
5.    

skn-rbt LD50:>5 g/kg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),41S.

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 vapors.
Safety Information about 3R,6E,10E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol ( 1113-21-9):
Hazard Codes: 
Xi:
Risk Statements about 3R,6E,10E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol ( 1113-21-9):
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements about 3R,6E,10E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol ( 1113-21-9): 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
F10: Keep under argon.
WGK Germany: 2
RTECS: MM0335000

Specification

  The chemical synonyms of (3R,6E,10E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol ( 1113-21-9) are (e,e)-3,7,11,15-Tetramethylhexadeca-1,6,10,14 ; (e,e)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol ; 10,14-Hexadecatetraen-3-ol,3,7,11,15-tetramethyl-,(e,e)-6 ; 6,10,14-Hexadecatetraen-3-ol,3,7,11,15-tetramethyl-,(E,E)-1 ; e,e-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol ; Geranyllinalool,mixtureofisomers ; 7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol ; 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraene-3-ol .If contact with skin or eyes,immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.Do NOT induce vomiting.If conscious and alert,rinse mouth and drink 2-4 cupfuls of milk or water.Remove from exposure and move to fresh air immediately. Wash thoroughly after handling. Remove contaminated clothing and wash before reuse.Avoid contact with eyes, skin,and clothing.Avoid ingestion and inhalation.Store in a cool,dry place.Keep container closed when not in use.