3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-

Names

[ CAS No. ]:
1686-14-2

[ Name ]:
3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-

[Synonym ]:
EINECS 216-869-6
α-Pinene oxide
Alpha-Pinene Oxide
2,3-Epoxypinane
Pinane, 2,3-epoxy-, (-)-
MFCD00066955

Chemical & Physical Properties

[ Density]:
1.027g/cm3

[ Boiling Point ]:
102 - 103ºC at 30 mm Hg

[ Molecular Formula ]:
C₁₀H₁₆O

[ Molecular Weight ]:
152.23300

[ Flash Point ]:
65.6ºC

[ Exact Mass ]:
152.12000

[ PSA ]:
12.53000

[ LogP ]:
2.20990

[ Index of Refraction ]:
n20/D 1.469(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TK4565000

CHEMICAL NAME :: Pinane, 2,3-epoxy-

CAS REGISTRY NUMBER :: 1686-14-2

BEILSTEIN REFERENCE NO. :: 0080362

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C10-H16-O

MOLECULAR WEIGHT :: 152.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 500 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 249,55,1991

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TK4565000

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Alpha-pinene
Octanoic acid
(+)-alpha-Pinene
α-methylstyrene

DownStream

α-campholenaldehyde
trans-Sobrerol
[1R-(1alpha,3beta,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol
(E)-carveol
isopinocamphone
laevo-pinocarveol
p-cymene

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Secondary organic aerosol from alpha-pinene ozonolysis in dynamic chamber system.

Indoor Air 19(4) , 335-45, (2009)

The formation of secondary organic aerosol (SOA) produced from alpha-pinene ozonolysis was examined using a dynamic chamber system that allowed the simulation of ventilated indoor environments. Partic...

Improvement of P450(BM-3) whole-cell biocatalysis by integrating heterologous cofactor regeneration combining glucose facilitator and dehydrogenase in E. coli.

Appl. Microbiol. Biotechnol. 78(1) , 55-65, (2008)

Escherichia coli BL21, expressing a quintuple mutant of P450(BM-3), oxyfunctionalizes alpha-pinene in an NADPH-dependent reaction to alpha-pinene oxide, verbenol, and myrtenol. We optimized the whole-...

Optimization of isonovalal production from alpha-pinene oxide using permeabilized cells of Pseudomonas rhodesiae CIP 107491.

Appl. Microbiol. Biotechnol. 60(5) , 534-40, (2003)

Optimization studies on the synthesis of isonovalal from alpha-pinene oxide by Pseudomonas rhodesiae CIP 107491 operated in a biphasic medium are presented. Three key parameters are identified. The fi...

3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2S,4R,6R)-
(1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
[1S-(1alpha,2alpha,4alpha,6alpha)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
[1R-(1alpha,2beta,4beta,5alpha,6alpha)]-5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
[1R-(1alpha,2beta,4beta,6alpha)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
(1α,2β,4β,6α)-()-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
3-(5-{[(Prop-2-en-1-yloxy)carbonyl]amino}pyridin-3-yl)propanoic acid
2-[(6-Methylpyridin-2-yl)[(prop-2-en-1-yloxy)carbonyl]amino]acetic acid
3-{[(Prop-2-en-1-yloxy)carbonyl](pyridin-2-yl)amino}propanoic acid
6-(2-{[(Prop-2-en-1-yloxy)carbonyl]amino}ethyl)pyridine-2-carboxylic acid
2'-acetyl-3',4'-dihydro-2'H-spiro[oxetane-3,1'-pyrrolo[1,2-a]pyrazine]-6'-carboxylic acid
(2S,4S)-1-acetyl-4-(pyridin-4-yloxy)pyrrolidine-2-carboxylic acid
6-{Ethyl[(prop-2-en-1-yloxy)carbonyl]amino}pyridine-3-carboxylic acid
ethyl (2S)-2-amino-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)propanoate
2-{[(Prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-4-yl)propanoic acid
(2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-2-yl)propanoic acid

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