4-Tert-Butylcyclohexanone

Catalog	ACM98533
CAS	98-53-3
Structure
Synonyms	4-(1,1-Dimethylethyl)-cyclohexanon
IUPAC Name	4-Tert-butylcyclohexan-1-one
Molecular Weight	154.25
Molecular Formula	C10H18O
Canonical SMILES	CC(C)(C)C1CCC(=O)CC1
InChI	InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChI Key	YKFKEYKJGVSEIX-UHFFFAOYSA-N
Boiling Point	113-116 °C
Melting Point	47-50 °C
Flash Point	205 °F
Purity	95%+
Density	0.893 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, ethanol; insoluble in water
Appearance	White to almost white crystalline powder
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Physical State	Crystalline powder
Refractive Index	n20/D 1.457(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	17.1 Ų