Products for Research Use Only
RegisterLogin

Monobutyl Phthalate

CAT: 0024-sc-391418Size: 10 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-391418Size:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
131-70-4

Chemical Information

Monobutyl phthalate

Monobutylphthalate is a phthalic acid monoester. It is functionally related to a butan-1-ol.

CAS Number131-70-4
PubChem CID8575
IUPAC Name2-butoxycarbonylbenzoic acid
Molecular FormulaC12H14O4
Molecular Weight222.24
XLogP3.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity249
SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey
YZBOVSFWWNVKRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Monobutyl phthalate
CAS: 131-70-4
CID: 8575
Formula: C12H14O4
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass222.08920892
Monoisotopic Mass222.08920892
Topological Polar Surface Area63.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-397974Monooctyl Phthalate
sc-484487Monobutyl Phosphate
sc-484487AMonobutyl Phosphate
sc-484924Monobutyl Tetrachlorophthalate
sc-489760Monobutyl Itaconate
sc-484487BMonobutyl Phosphate
sc-477405Monooctyl Phthalate-d4
sc-487497Monobutyl Sulfate-D9
sc-487498Monobutyl Tetrachlorophthalate-d9
sc-484912Monobutyl Phosphate-d9

Alternative Products

CatalogName
MBS6064746-01Monobutyl Phthalate
TRC-M525102-5MGMonobutyl Phthalate-D4
HY-N7143R-01Monobutyl phthalate (Standard)
TRC-M525103-25MGMonobutyl Phthalate-13C6,d4
456522Monobutyl Phthalate-13C6, d4
KDA20981-01Monobutyl phthalate acyl-β-D-glucuronide

Popular Products