Aluminum sec-butoxide

Catalog Number	ACM2269229-5
CAS	2269-22-9
Structure
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
Monoisotopic Mass	246.1775581
Odor	Alcohol-like odor
Rotatable Bond Count	3
Topological Polar Surface Area	69.2 Ų