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Basic Information
CAS No.: 5331-32-8
Name: (+/-)-ISOBORNYL METHYL ETHER
Molecular Structure:
Molecular Structure of 5331-32-8 ((+/-)-ISOBORNYL METHYL ETHER)
Formula: C11H20 O
Molecular Weight: 168.279
Synonyms: Bicyclo[2.2.1]heptane,2-methoxy-1,7,7-trimethyl-, exo-; Bornane, 2-methoxy-, exo- (8CI); Isoborneolmethyl ether; Isobornyl methyl ether; NSC 2274; exo-2-Methoxybornane
EINECS: 226-228-2
Density: 0.92 g/cm3
Boiling Point: 186.4 °C at 760 mmHg
Flash Point: 58.2 °C
Solubility: insoluble in water, soluble in oils and organic solvents
Appearance: clear colourless to pale yellow liquid
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Transport Information: UN 3271
PSA: 9.23000
LogP: 2.84760
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Chemistry

IUPAC Name: 2-Methoxy-1,7,7-trimethyl-norbornane
CAS: 5331-32-8
EINECS: 226-228-2
Following is the Molecular Structure of Isoborneol methyl ether (5331-32-8):

SMILES: O(C)C2CC1CCC2(C1(C)C)C
InChI: InChI=1/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3
InChIKey: ZRHVOKYSOWTPIG-UHFFFAOYAL
Std.InChI: InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3
Std.InChIKey: ZRHVOKYSOWTPIG-UHFFFAOYSA-N
Molecular Formula: C11H20O
Molecular Weight: 168.28
Boiling Point: 186.4℃ at 760mmHg
Flash Point: 58.2℃
Molar Volume: 181.2cm3
Density: 0.92g/cm3
Index of Refraction: 1.47
Molar Refractivity: 50.59cm3
Surface Tension: 28.9dyne/cm
Polarizability: 20.05 10-24cm3
Enthalpy of Vaporization: 40.53kJ/mol
Vapour Pressure: 0.913mmHg at 25℃

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 53S, 1992.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 53S, 1992.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes:  Xi Irritant.
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
RIDADR: UN 3271 3/PG 3
WGK: Germany 2
RTECS: DT5078000
Low toxicity by ingestion and skin contact.

Specification

 Isoborneol methyl ether (5331-32-8),which also can be called for (+/-)-Isobornyl methyl ether ; Isobornyl methyl ether ; exo-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane ; 2-Methoxy-1,7,7-trimethyl-,(1r,2r,4r)-rel-bicyclo[2.2.1]heptane ; 7,7-Trimethyl-2-methoxy-exo-bicyclo(2.2.1)heptan ; 7,7-Trimethyl-2-methoxy-exo-bicyclo[2.2.1]heptan ; exo-2-Methoxy-1,7,7-trimethylnorbornane ; exo-2-Methoxybornane .When Isoborneol methyl ether (5331-32-8) was heated,it emits acrid smoke and irritating vapors.