Oxetane

Names

[ CAS No. ]:
503-30-0

[ Name ]:
Oxetane

[Synonym ]:
MFCD00005167
Oxacyclobutane
Trimethylene oxide/Oxetane
1,3-Epoxypropane
Trimethylene Oxide
Oxetane
Cyclooxabutane
EINECS 207-964-3
Trimethylene oxide (8CI)

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
49.0±0.0 °C at 760 mmHg

[ Melting Point ]:
-97°C

[ Molecular Formula ]:
C₃H₆O

[ Molecular Weight ]:
58.079

[ Flash Point ]:
-32.0±15.3 °C

[ Exact Mass ]:
58.041866

[ PSA ]:
9.23000

[ LogP ]:
-0.24

[ Vapour Pressure ]:
317.0±0.0 mmHg at 25°C

[ Index of Refraction ]:
1.412

[ Storage condition ]:
2-8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RQ6825000

CHEMICAL NAME :: Oxetane

CAS REGISTRY NUMBER :: 503-30-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C3-H6-O

MOLECULAR WEIGHT :: 58.09

WISWESSER LINE NOTATION :: T4OTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2240 mg/kg/56W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 3333 ug/plate

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H302-H312-H332

[ Precautionary Statements ]:
P210-P280

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
F:Highlyflammable;Xn:Harmful;

[ Risk Phrases ]:
R11;R20/21/22

[ Safety Phrases ]:
S9-S16-S26-S29

[ RIDADR ]:
UN 1993 3/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
RQ6825000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2H-oxete
3-Chloropropyl acetate
Diethyloxytriphenylphosphorane
1,3-Propanediol
3-Bromopropan-1-ol
3-Bromopropyl Acetate
3-Chloro-1-propanol
Propane Residual Solvent Standard
Ethyl acetoacetate

DownStream

Tris(3-chloropropyl) Phosphate
Ethyl tetrahydrofuroate
Ethyl methoxyacetate
methyl 2-ethoxyacetate
ETHYL PROPIONYLACETATE
2-(oxetan-2-yl)acetic acid ethyl ester
N-(3-Hydroxypropyl)aniline
2,3,4,5-tetrachlorophenol
2,3-(Tetrachlorbenzo)-1,4,8,12-tetraoxapentadecen

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

Synthesis of highly substituted oxetanes via [2+2] cycloaddition reactions of allenoates catalyzed by a guanidine Lewis base.

Chem. Commun. (Camb.) 49(28) , 2930-2, (2013)

The first synthesis of highly substituted 3-alkyl-oxetan-2-ylidenes from allenoates was developed by using the bicyclic guanidine 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) as an exceptionally active n...

A selective intramolecular transacylation of taxoids accompanying with the oxetane ring opening.

Chem. Pharm. Bull. 60(3) , 415-8, (2012)

A selective intramolecular transacylation from C-4 to C-5 of taxoids, which occurred simultaneously with the oxetane D-ring opening and was promoted by TiCl4, was presented. The optimal condition was ...

Three-component assembly and divergent ring-expansion cascades of functionalized 2-iminooxetanes.

Angew. Chem. Int. Ed. Engl. 49(48) , 9210-4, (2010)