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Ether, isopropyl methyl

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Name

Ether, isopropyl methyl

EINECS 209-937-1
CAS No. 598-53-8 Density 0.731 g/cm3
PSA 9.23000 LogP 1.04120
Solubility N/A Melting Point N/A
Formula C4H10O Boiling Point 50.6 °C at 760 mmHg
Molecular Weight 74.1228 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 598-53-8 (2-Methoxypropane) Hazard Symbols N/A
Synonyms

2-Methoxypropane;2-Propylmethyl ether;Isopropyl methyl ether;Isopryl;Methyl iso-propyl ether;Methyl isopropylether;Ether,isopropyl methyl (6CI,7CI,8CI);

Article Data 32

Ether, isopropyl methyl Synthetic route

38222-83-2

2,6-di-tert-butyl-4-methylpyridine

278172-59-1

methyltriphenylbismuthonium tetrafluoroborate

67-63-0

isopropyl alcohol

A

598-53-8

isopropyl methyl ether

B

160142-36-9

2,6-di-tert-butyl-4-methylpyridinium tetrafluoroborate

C

603-33-8

triphenylbismuthane

Conditions
ConditionsYield
In chloroform-d1 alcohol was added to mixt. (Ph3BiMe)(BF4) and 2,6-di-tert-butyl-4-methylpyridine in CDCl3 and allowed to react at 23°C for 4-7 h; detn. by NMR;A 82%
B 100%
C 100%
67-56-1

methanol

143885-03-4

isopropyloxy(diphenyl)-λ6-sulfanenitrile

A

598-53-8

isopropyl methyl ether

B

22731-83-5

S,S-diphenylsulphoximine

Conditions
ConditionsYield
at 45℃; for 114h;A 99%
B n/a
555-31-7

aluminum isopropoxide

74-88-4

methyl iodide

598-53-8

isopropyl methyl ether

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 48h; Heating;66%
540-67-0

ethyl methyl ether

14621-84-2

diazomethane-d2

A

60-29-7

diethyl ether

B

598-53-8

isopropyl methyl ether

C

74-85-1

ethene

D

115-10-6

Dimethyl ether

E

557-17-5

methyl propyl ether

Conditions
ConditionsYield
Product distribution; Mechanism; Ambient temperature; Irradiation; deuterium distribution;A 29.7%
B 17.9%
C n/a
D 37.2%
E 15.2%
540-67-0

ethyl methyl ether

A

60-29-7

diethyl ether

B

598-53-8

isopropyl methyl ether

C

74-85-1

ethene

D

557-17-5

methyl propyl ether

Conditions
ConditionsYield
Product distribution; Mechanism; Ambient temperature; Irradiation;A 34%
B 33.2%
C n/a
D 32.8%
555-31-7

aluminum isopropoxide

598-53-8

isopropyl methyl ether

Conditions
ConditionsYield
With isopropyl alcohol
555-31-7

aluminum isopropoxide

67-63-0

isopropyl alcohol

598-53-8

isopropyl methyl ether

67-63-0

isopropyl alcohol

A

598-53-8

isopropyl methyl ether

B

74-85-1

ethene

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
bei der Einw. von Sonnenlicht;
67-63-0

isopropyl alcohol

598-53-8

isopropyl methyl ether

Conditions
ConditionsYield
With 1,2-dimethoxyethane; naphthalene; sodium Behandlung der Loesung mit Dimethylsulfat unterhalb 20grad;
683-60-3

sodium isopropylate

74-88-4

methyl iodide

598-53-8

isopropyl methyl ether

Ether, isopropyl methyl Specification

This chemical is called Ether, isopropyl methyl, and its CAS registry number is 598-53-8. With the molecular formula of C4H10O, its molecular weight is 74.12. It's often used as pharmaceutical intermediates.

Other characteristics of the Ether, isopropyl methyl can be summarised as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.38; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 64.68; (8)ACD/KOC (pH 7.4): 64.68; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.358; (14)Molar Refractivity: 22.28 cm3; (15)Molar Volume: 101.3 cm3; (16)Polarizability: 8.83×10-24cm3; (17)Surface Tension: 17.8 dyne/cm; (18)Density: 0.731 g/cm3; (19)Flash Point: °C; (20)Enthalpy of Vaporization: 26.05 kJ/mol; (21)Boiling Point: 50.6 °C at 760 mmHg; (22)Vapour Pressure: 299 mmHg at 25°C.

Production method of this chemical: The Ether, isopropyl methyl could be obtained by the reactants of iodomethane and propan-2-ol; aluminium salt. This reaction needs the solvent of dimethylformamide. The yield is 66 %. In addition, this reaction should be taken for 2 days. The other condition is heating.

Uses of this chemical: The Ether, isopropyl methyl could react with 2-[(R)-3-(benzyloxy)tetradecanamido]-2-deoxy-D-glucose, and obtain the 2-[(R)-3-(benzyloxy)tetradecanamido]-2-deoxy-4,6-O-isopropylidene-D-glucopyranose. This reaction needs the reagent of p-toluenesulfonic acid, molecular sieves 4A, and the solvent of dimethylformamide. The yield is 60 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: O(C(C)C)C
2.InChI: InChI=1/C4H10O/c1-4(2)5-3/h4H,1-3H3
3.InChIKey: RMGHERXMTMUMMV-UHFFFAOYAB

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 407gm/m3/15M (407000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC Anesthesiology. Vol. 11, Pg. 455, 1950.
Link to PubMed

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