IUPAC Name: (1R,2R,4R)-1,7,7-Trimethylnorbornan-2-ol
CAS: 124-76-5
EINECS: 204-712-4
Product Categories: Bicyclic Monoterpenes ; Biochemistry ; Terpenes ; Alphabetical Listings ; Flavors and Fragrances ; I-L ; Alcohols ; Chiral Building Blocks ; Organic Building Blocks .
Following is the Molecular Structure of Isobornyl alcohol (124-76-5):
SMILES: O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChI: InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChIKey: DTGKSKDOIYIVQL-MRTMQBJTBQ
Std.InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
Std.InChIKey: DTGKSKDOIYIVQL-MRTMQBJTSA-N
Molecular Formula: C10H18O
Molecular Weight: 154.25
Melting Point: 212-214℃(subl.)(lit.)
Boiling Point: 212℃ at 760mmHg
Flash Point: 65.6℃
Molar Volume: 155.3cm3
Density: 0.992g/cm3
Index of Refraction: 1.502
Molar Refractivity: 45.85cm3
Surface Tension: 36.2dyne/cm
Polarizability: 18.17 10-24cm3
Enthalpy of Vaporization: 52.14kJ/mol
Vapour Pressure: 0.0398mmHg at 25℃
Used as a synthetic flavor.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03209, | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 531, 1979. | |
rat | LD50 | oral | 5200mg/kg (5200mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 531, 1979. |
Reported in EPA TSCA Inventory.
Hazard Codes: F Highly Flammable, Xi Irritant.
Risk Statements: 11-38
R11: Highly Flammable.
R38: Irritating to the skin.
Safety Statements: 24/25
S24: Avoid contact with skin.
S25: Avoid contact with eyes.
RIDADR: UN 1312 4.1/PG 3
WGK Germany: 2
RTECS: NP7300000
Poison by intravenous route. Mildly toxic by ingestion. A skin irritant.
Isobornyl alcohol (124-76-5),which also can be called for Borneol(Iso) ; (+/-)-Isoborneol ; Isoborneol ; FEMA 2158 ; Exo-2-Camphanol ; Exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol ; Dl-Isoborneol ; Dl-isobornyl alcohol .When Isobornyl alcohol (124-76-5) was heated,it emits acrid smoke and irritating fumes. Isobornyl alcohol (124-76-5) is a white to almost white crystalline powder and it has camphoraceous odor.This chemical should be stored in a cool, dry, well-ventilated area away from incompatible substances.Keep containers tightly closed.
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