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Cas Database |
| Name |
Isoborneol methyl ether |
EINECS | 226-228-2 |
| CAS No. | 5331-32-8 | Density | 0.92 g/cm3 |
| PSA | 9.23000 | LogP | 2.84760 |
| Solubility | insoluble in water, soluble in oils and organic solvents | Melting Point |
N/A |
| Formula | C11H20 O | Boiling Point | 186.4 °C at 760 mmHg |
| Molecular Weight | 168.279 | Flash Point | 58.2 °C |
| Transport Information | UN 3271 | Appearance | clear colourless to pale yellow liquid |
| Safety | Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| 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 |
Article Data | 12 |
Isoborneol methyl ether Chemical Properties
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℃
Isoborneol methyl ether 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. |
Isoborneol methyl ether Consensus Reports
Reported in EPA TSCA Inventory.
Isoborneol methyl ether 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.
Isoborneol methyl ether 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.
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