NAVIGATION


Aluminum sec-butoxide

Catalog Number
ACM2269229-5
CAS Number
2269-22-9
Product Name
Aluminum sec-butoxide
Structure
Category
Salt
Synonyms
2-Butanol,aluminumsalt
IUPAC Name
Aluminum;butan-2-olate
Molecular Weight
246.32
Molecular Formula
C12H27AlO3
Canonical SMILES
CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Al+3]
InChI
InChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChI Key
WOZZOSDBXABUFO-UHFFFAOYSA-N
Boiling Point
40 °C
Flash Point
82 °F
Purity
95%+
Density
0.967 g/mL at 25 °C (lit.)
Solubility
Miscible with alcohol, isopropyl alcohol and toluene
Appearance
Light yellow liquid
Storage
Store below +30 °C
Complexity
19.6
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
0
EC Number
218-871-2
Exact Mass
246.1775581
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
MeSH Entry Terms
2-butanol;2-butanol, (+)-isomer;2-butanol, (+-)-isomer;2-butanol, (-)-isomer;2-butanol, aluminum salt;2-butanol, lithium salt, (+-)-isomer;2-butanol, lithium salt, (R)-isomer;2-butanol, lithium salt, (S)-isomer;sec-butyl alcohol
Monoisotopic Mass
246.1775581
Odor
Alcohol-like odor
Rotatable Bond Count
3
Topological Polar Surface Area
69.2 Ų
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