5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer
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![5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8442e1f8c3c046b98cd12f5155a6bf84.png "5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer")
5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer
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CAS No:
115-71-9
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Formula:
C15H24O
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Chemical Name:
5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer
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Synonyms:
5-(2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-2-penten-1-ol;5-[2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-2-penten-1-ol;5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer;2-Penten-1-ol, 5-(1R,3R,6S)-2,3-dimethyltricyclo2.2.1.02,6hept-3-yl-2-methyl-, (2Z)-;Sandal;SANTALOL(ALPHA&BETA);2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-, stereoisomer 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-2-penten-1-o ( r(z))- (+)-alpha-santalol (z)-alpha-santalol;Sandalwood oil,East Indian type
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CAS No:
Description
Light yellow to yellow slightly viscous volatile essential oil with a strong and persistent characteristic woody aroma. Soluble in ethanol, most non-volatile oils, propylene glycol and mineral oil, sometimes turbid, insoluble in glycerin and water.
5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer Basic Attributes
220.36
220.35
2041028
TSCA listed
DTXSID9051587
Characteristics
20.23000
3.38740
d2525 0.9770
bp14 166-167°
138.6ºC
nD25 1.5017
SOL IN ALC; SLIGHTLY SOL IN PROPYLENE GLYCOL, GLYCERINE
0.000118mmHg at 25°C
SPECIFIC OPTICAL ROTATION: +17.0 DEG @ 20 °C/D
at 100.00 %. woody sandalwood
14.85±0.10(Predicted)
SWEET, WOODY AROMA WITH NUTTY TASTE /ALPHA & BETA SANTALOL/|COLORLESS TO SLIGHTLY YELLOW, VISCOUS LIQ /ALPHA & BETA SANTALOL/|SPECIFIC OPTICAL ROTATION: -90.5 DEG @ 20 °C/D /BETA-SANTALOL/
Safety Information
NATURAL OCCURRENCE, USES, & COMPOSITION OF SANDALWOOD OIL ARE REVIEWED WITH 46 REF.[BUCHBAUER G; SANDALWOOD OIL; SEIFEN, OELE, FETTE, WACHSE 103(5) 125 (1977)]
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 113 companies from 3 notifications to the ECHA C&L Inventory.
| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.
Toxicity
SESQUITERPENE ALC WHICH TOGETHER WITH BETA-SANTALOL COMPRISES ABOUT 90% COMMERCIAL SANDALWOOD OIL...|SANTALOLS ARE FOUND AMONG CONSTITUENTS OF VARIOUS SANDALWOOD SPECIES (SANTALUM ALBUM L, S SPICATUM, S AUTROCALEDONICUM). ALPHA & BETA-ISOMERS ARE PRESENT IN VARYING RATIOS, WITH ALPHA-ISOMER USUALLY MORE ABUNDANT.
5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer Use and Manufacturing
COMMERCIAL PRODUCT IS GENERALLY MIXT OF ALPHA & BETA-SANTALOL OBTAINED BY FRACTIONAL DISTILLATION OF SANDALWOOD OIL. NON-COMMERCIAL SYNTHESES ARE KNOWN.
In perfumes, soaps and detergents.
(Z)-α-Santalol is a key component of sandalwood oil, which when purified, can be used to suppress lipopolysaccharide-stimulated cytokine/chemokine production in skin cells.
PURITY: 95% MIN (98% MIN) /ALPHA & BETA SANTALOL/
2-Penten-1-ol, 5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-, (2Z)-: INACTIVE|REPORTED USES: NON-ALCOHOLIC BEVERAGES 0.06-2.0 PPM; ICE CREAM, ICES, ETC 0.35-2 1.0-1.0 PPM; BAKED GOODS 1.0-8.0 PPM; CHEWING GUM 0.20 PPM; REGULATORY STATUS: FDA 121.1164; FEMA NUMBER 3006|REGULATION: 172.515; FLAVORS USEFUL IN NUT, RASPBERRY, TRACES IN FRUIT FLAVORS /ALPHA & BETA SANTALOL/
MAIN CONSTITUENTS OF EAST-INDIAN SANDALWOOD OIL, FORMING HIGHER BOILING FRACTIONS ARE ALPHA & BETA-SANTALOL, BOTH SESQUITERPENE ALC.
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:220.35
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:220.182715385
Monoisotopic Mass:220.182715385
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:331
Undefined Atom Stereocenter Count:3
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer
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