Monoisobutyl Phthalate

Catalog Number	ACM30833535-3
CAS	30833-53-5
Structure
IUPAC Name	2-(2-Methylpropoxycarbonyl)benzoic acid
Synonyms	Mibp
Molecular Weight	222.24
Molecular Formula	C12H14O4
Canonical SMILES	CC(C)COC(=O)C1=CC=CC=C1C(=O)O
InChI	InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)
InChI Key	RZJSUWQGFCHNFS-UHFFFAOYSA-N
Boiling Point	283.41 °C
Melting Point	78-80 °C
Density	1.0643 g/mL
Complexity	260
Covalently-Bonded Unit Count	1
EC Number	250-352-6
Exact Mass	222.08920892
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Monoisotopic Mass	222.08920892
Rotatable Bond Count	5
Topological Polar Surface Area	63.6 Å²
X Log P3	2.5

Please kindly note that our products and services are for research use only.