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503-30-0

Basic Information
CAS No.: 503-30-0
Name: Trimethylene oxide
Article Data: 50
Molecular Structure:
Molecular Structure of 503-30-0 (Trimethylene oxide)
Formula: C3H6O
Molecular Weight: 58.08
Synonyms: Trimethyleneoxide (6CI,8CI);1,3-Epoxypropane;1,3-Propylene oxide;Cyclooxabutane;NSC30086;Oxacyclobutane;Oxetan;Oxytrimethylene;Propane, 1,3-epoxy-;a,g-Propane oxide;
EINECS: 207-964-3
Density: 0.936 g/cm3
Melting Point: -97 °C
Boiling Point: 49 °C at 760 mmHg
Flash Point: −19 °F
Solubility: soluble in water
Appearance: Clear, colorless liquid
Hazard Symbols: FlammableF,HarmfulXn
Risk Codes: 11-20/21/22
Safety: 9-16-26-29
Transport Information: UN 1993 3/PG 2
PSA: 9.23000
LogP: 0.40670
Synthetic route
40894-08-4

(CH3CH2CH2CH2)3SnOCH2CH2CH2Br

A

503-30-0

trimethylene oxide

B

1461-23-0

tributyltin bromide

Conditions
ConditionsYield
decompn. at 210°C (1 h);A 64%
B n/a
decompn. at 210°C (1 h);A 64%
B n/a
628-09-1

3-Chloropropyl acetate

503-30-0

trimethylene oxide

Conditions
ConditionsYield
With potassium hydroxide In water Heating;40%
With potassium hydroxide; water at 150℃;
109-64-8

1,3-dibromo-propane

105-53-3

diethyl malonate

A

503-30-0

trimethylene oxide

B

3779-29-1

diethyl cyclobutane-1,1-dicarboxylate

C

504-63-2

trimethyleneglycol

Conditions
ConditionsYield
With tetraethylammonium perchlorate In N,N-dimethyl-formamide electrolysis;A n/a
B 35%
C n/a
141-97-9

ethyl acetoacetate

109-64-8

1,3-dibromo-propane

A

503-30-0

trimethylene oxide

B

126290-87-7

ethyl 1-acetylcyclobutanecarboxylate

C

504-63-2

trimethyleneglycol

Conditions
ConditionsYield
With tetraethylammonium perchlorate In N,N-dimethyl-formamide electrolysis;A n/a
B 30%
C n/a
109-64-8

1,3-dibromo-propane

108-59-8

malonic acid dimethyl ester

A

503-30-0

trimethylene oxide

B

10224-72-3

dimethyl cyclobutane-1,1-dicarboxylate

C

504-63-2

trimethyleneglycol

Conditions
ConditionsYield
With tetraethylammonium perchlorate In N,N-dimethyl-formamide electrolysis;A n/a
B 25%
C n/a
111-66-0

oct-1-ene

503-30-0

trimethylene oxide

Conditions
ConditionsYield
With benzophenone; tri-n-butyl phosphite In benzene Product distribution; Irradiation; different sovents and reaction conditions;5%
18171-15-8

(3-chloropropoxy)trimethylsilane

503-30-0

trimethylene oxide

Conditions
ConditionsYield
With potassium hydroxide; water
592-33-6

3-bromopropyl acetate

503-30-0

trimethylene oxide

Conditions
ConditionsYield
With potassium hydroxide; water
122-60-1

Phenyl glycidyl ether

627-18-9

1-bromo-3-propanol

503-30-0

trimethylene oxide

Conditions
ConditionsYield
With N-ethylpyridinium iodide
627-30-5

1-chloro-3-hydroxypropane

503-30-0

trimethylene oxide

Conditions
ConditionsYield
With potassium carbonate
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Oxetane is oxetane. With the CAS registry number 503-30-0, it is also named as 1,3-Epoxypropane. The product's categories are Heterocyclic Compounds; Oxetanes; Simple 4-Membered Ring Compounds. Besides, it is clear, colorless liquid with an agreeable aromatic odor which should be stored in sealed, cool and ventilated place at 2-8 °C. In addition, it is soluble in water. 

The other characteristics of this product can be summarized as: (1)EINECS: 207-964-3; (2)ACD/LogP: -0.24; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.24; (5)ACD/LogD (pH 7.4): -0.24; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 17.69; (9)ACD/KOC (pH 7.4): 17.69; (10)H bond acceptors: 1; (11)H bond donors: 0; (12)Freely Rotating Bonds: 0; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 15.44 cm3; (15)Molar Volume: 62 cm3; (16)Surface Tension: 29.6 dyne/cm; (17)Density: 0.936 g/cm3; (18)Flash Point: -20 °C; (19)Melting Point: -97 °C; (20)Enthalpy of Vaporization: 28.67 kJ/mol; (21)Boiling Point: 49 °C at 760 mmHg; (22)Vapour Pressure: 317 mmHg at 25 °C.

Preparation of Oxetane: this chemical can be prepared by the reaction of Potassium hydroxide with 3-Chloropropyl acetate at 150 °C. And the yield is 40 %.

Uses of Oxetane: it can react with Piperidine to get 3-Piperidin-1-yl-propan-1-ol.



This reaction needs LiBF4 and Acetonitrile at ambient temperature for 23 hours. The yield is 93 %.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is also harmful by inhalation, in contact with skin and if swallowed. Please keep container in a well-ventilated place. And you should not empty into drains. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O1CCC1
(2)InChI:InChI=1/C3H6O/c1-2-4-3-1/h1-3H2
(3)InChIKey:AHHWIHXENZJRFG-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
(5)Std. InChIKey:AHHWIHXENZJRFG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 subcutaneous 500mg/kg (500mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 74, Pg. 241, 1970.