Propane,1-ethoxy-2-methyl- supplier

Name
1-ETHOXY-2-METHYLPROPANE
EINECS
CAS No. 627-02-1
Density 0.76 g/cm³
Solubility
Melting Point 125-127℃
Formula C₆H₁₄O
Boiling Point 83.8 °C at 760 mmHg
Molecular Weight 102.177
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ether,ethyl isobutyl (6CI,7CI,8CI);1-Ethoxy-2-methylpropane;Ethyl isobutyl ether;Isobutyl ethyl ether;
PSA 9.23000
LogP 1.67890

Propane,1-ethoxy-2-methyl- Specification

The Propane,1-ethoxy-2-methyl-, with the CAS registry number 627-02-1, is also known as Ethyl isobutyl ether. This chemical's molecular formula is C₆H₁₄O and molecular weight is 102.17. What's more, its systematic name is 1-Ethoxy-2-methylpropane.

Physical properties of Propane,1-ethoxy-2-methyl- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.26; (6)ACD/BCF (pH 7.4): 15.26; (7)ACD/KOC (pH 5.5): 244.82; (8)ACD/KOC (pH 7.4): 244.82; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.386; (14)Molar Refractivity: 31.54 cm³; (15)Molar Volume: 134.3 cm³; (16)Polarizability: 12.5×10^-24 cm³; (17)Surface Tension: 21.1 dyne/cm; (18)Density: 0.76 g/cm³; (19)Enthalpy of Vaporization: 31.08 kJ/mol; (20)Boiling Point: 83.8 °C at 760 mmHg; (21)Vapour Pressure: 82.9 mmHg at 25 °C.

Preparation: this chemical can be prepared by isobutyric acid ethyl ester. This reaction will need reagents PhSiH₃, (PPh₃)(CO)₄MnC(O)CH₃ and solvent benzene-d6 with the reaction time of 21 hours. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)CC(C)C
(2)InChI: InChI=1/C6H14O/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
(3)InChIKey: RQUBQBFVDOLUKC-UHFFFAOYAW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	153gm/m³/15M (153000mg/m³)	BEHAVIORAL: GENERAL ANESTHETIC	Anesthesiology. Vol. 11, Pg. 455, 1950. Link to PubMed

Product Name

1-ETHOXY-2-METHYLPROPANE

Propane,1-ethoxy-2-methyl- Specification

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