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CAS No.: | 609-27-8 |
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Name: | 3-ETHYL-2-PENTANOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H16 O |
Molecular Weight: | 116.203 |
Synonyms: | 3-Ethyl-2-pentanol;NSC 91502 |
Density: | 0.816g/cm3 |
Melting Point: | -30.45°C (estimate) |
Boiling Point: | 152.7°C at 760 mmHg |
Flash Point: | 51.6°C |
Safety: | Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors. |
PSA: | 20.23000 |
LogP: | 1.80340 |
Molecule structure of 3-Ethyl-2-pentanol (CAS NO.609-27-8) :
IUPAC Name: 3-ethylpentan-2-ol
Molecular Weight: 116.20134 g/mol
Molecular Formula: C7H16O
Density: 0.816 g/cm3
Boiling Point: 152.7 °C at 760 mmHg
Flash Point: 51.6 °C
Index of Refraction: 1.418
Molar Refractivity: 35.93 cm3
Molar Volume: 142.3 cm3
Polarizability: 14.24*10-24 cm3
Surface Tension: 26.2 dyne/cm
Enthalpy of Vaporization: 45.37 kJ/mol
Vapour Pressure: 1.28 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Exact Mass: 116.120115
MonoIsotopic Mass: 116.120115
Topological Polar Surface Area: 20.2
Heavy Atom Count: 8
Complexity: 48.3
Canonical SMILES: CCC(CC)C(C)O
InChI: InChI=1S/C7H16O/c1-4-7(5-2)6(3)8/h6-8H,4-5H2,1-3H3
InChIKey of 3-Ethyl-2-pentanol (CAS NO.609-27-8) : NEHRITNOSGFGGS-UHFFFAOYSA-N
1. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03027 . |
Reported in EPA TSCA Inventory.
Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
3-Ethyl-2-pentanol (CAS NO.609-27-8) is also called 2-01-00-00445 (Beilstein Handbook Reference) ; BRN 1697141 ; NSC 91502 ; 2-Pentanol, 3-ethyl- .