4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
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4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
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CAS No:
13877-94-6
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Formula:
C15H24O
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Chemical Name:
4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
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Synonyms:
5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-;4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane;4,5-Epoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane
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CAS No:
4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane Basic Attributes
220.35046
220.35
237-642-8
Characteristics
12.5
3.6
Solid
63.5 - 64 °C
279.68°C.@760.00mmHg(est)
Insoluble in water; Soluble in fat
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Toxicity
BETA-CARYOPHYLLENE OXIDE WAS IDENTIFIED AS COMPONENTS IN THE ESSENTIAL OIL OBTAINED FROM PEUCEDANUM DHANA SEEDS.|ARTEMISA CAMPESTRIS OIL CONTAINS MONOTERPENES, SESQUITERPENES, & OXIDES, WITH AR-CURCUMENE AND CARYOPHYLLENE OXIDE AS MAIN COMPONENTS.|THE ESSENTIAL OIL & THE NONVOLATILE FRACTION FROM THE HEXANE EXTRACTION OF CHRYSANTHEMUM INDICUM AERIAL PARTS WERE ANALYZED AND FOUND TO INCLUDE BETA-CARYOPHYLLENE OXIDE AS ONE OF THE PRIMARY COMPONENTS.|BETA-CARYOPHYLLENE AND CARYOPHYLLENE EPOXIDE WERE PRESENT IN THE OILS OF BOTH LEOCUS AFRICANUS AND ALVESIA ROSMARINIFOLIA PLANTS.|For more Natural Pollution Sources (Complete) data for (-)-BETA-CARYOPHYLLENE EPOXIDE (33 total), please visit the HSDB record page.
Drug Information
14-HYDROXYCARYOPHYLLENE OXIDE WAS ISOLATED FROM THE URINE OF RABBITS TREATED WITH (-)-CARYOPHYLLENE THE X-RAY CRYSTAL STRUCTURE OF 14-HYDROXYCARYOPHYLLENE (AS ACETATE DERIVATIVE) WAS REPORTED. THE METABOLISM WAS SHOWN TO PROGRESS THROUGH (-)-CARYOPHYLLENE OXIDE SINCE THE LATTER COMPOUND ALSO AFFORDED 14-HYDROXYCARYOPHYLLENE AS A METABOLITE.
4,12,12-trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane
4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane Use and Manufacturing
POTENTIAL INSECT ATTRACTANT|FRAGRANCE & FLAVORING AGENT
(1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS|(1982) PROBABLY GREATER THAN 9.08X10+5 GRAMS
5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.|COLLOPS VITTATUS (2.4/TRAP/NIGHT) WAS CAUGHT IN TRAPS CONTAINING CARYOPHYLLENE OXIDE OR MIXTURES CONTAINING THIS COMPOUND.
THE ESSENTIAL OIL OF ARTEMISIA ABSINTHIUM WAS STUDIED USING BOTH THIN-LAYER AND GAS CHROMATOGRAPHY TECHNIQUES. CARYOPHYLLENE OXIDE WAS IDENTIFIED.|ALPINIA ALLUGHAS RHIZOMES YIELDED 0.05% ESSENTIAL OIL BY WATER- AND STEAM-DISTILLATION. COLUMN CHROMATOGRAPHY ON ALUMINA & SILICA GEL AND GAS CHROMATOGRAPHY INDICATED 23.07% CARYOPHYLLENE OXIDE.
Computed Properties
Molecular Weight:220.35
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Exact Mass:220.182715385
Monoisotopic Mass:220.182715385
Topological Polar Surface Area:12.5
Heavy Atom Count:16
Complexity:330
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- anagen
- so2f2
- 1-bromopropane
- ca hypochlorite
- naco3
- borane
4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
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