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17348-59-3

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Basic Information
CAS No.: 17348-59-3
Name: 2-isopropoxy-2-methylpropane
Article Data: 22
Molecular Structure:
Molecular Structure of 17348-59-3 (2-isopropoxy-2-methylpropane)
Formula: C7H16O
Molecular Weight: 116.203
Synonyms: Ether,tert-butyl isopropyl (6CI,7CI,8CI);2-Isopropoxy-2-methylpropane;Isopropyltert-butyl ether;tert-Butyl isopropyl ether;2-isopropoxy-2-methyl-propane;
EINECS: 241-373-1
Density: 0.77g/cm3
Melting Point: -95.35°C
Boiling Point: 87.6°C at 760mmHg
Solubility: 0.5g/L(25 oC)
PSA: 9.23000
LogP: 2.20990
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Specification

The tert-Butyl isopropyl ether, with CAS registry number of 17348-59-3, has the systematic name of tert-butyl propan-2-yl ether. And its IUPAC name is 2-methyl-2-propan-2-yloxypropane. Besides this, it is also named propane, 2-methyl-2-(1-methylethoxy)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.39; (6)ACD/BCF (pH 7.4): 20.39; (7)ACD/KOC (pH 5.5): 301.23; (8)ACD/KOC (pH 7.4): 301.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.394; (14)Molar Refractivity: 36.14 cm3; (15)Molar Volume: 150.8 cm3; (16)Polarizability: 14.33×10-24cm3; (17)Surface Tension: 20.9 dyne/cm; (18)Enthalpy of Vaporization: 31.42 kJ/mol; (19)Vapour Pressure: 71.2 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O(C(C)(C)C)C(C)C
(2)InChI: InChI=1/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3
(3)InChIKey: HNFSPSWQNZVCTB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3
(5)Std. InChIKey: HNFSPSWQNZVCTB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 11gm/m3/4H (11000mg/m3)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 200, 1992.
rat LD oral > 2gm/kg (2000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 200, 1992.