Monoisobutyl phthalate

Base Information

Chemical Name:Monoisobutyl phthalate
CAS No.:30833-53-5
Molecular Formula:C12H14 O4
Molecular Weight:222.241
Hs Code.:2918990090
European Community (EC) Number:250-352-6
UNII:K66VV25BGK
DSSTox Substance ID:DTXSID5052701
Nikkaji Number:J60.509C
Wikidata:Q26840950
Metabolomics Workbench ID:37998
Mol file:30833-53-5.mol

Synonyms:Monoisobutyl phthalate;30833-53-5;MIBP;Isobutyl hydrogen phthalate;Mono-iso-butyl phthalate;Monoisobutyl phthalic acid;Phthalic acid, monoisobutyl ester;2-(2-methylpropoxycarbonyl)benzoic acid;2-(Isobutoxycarbonyl)benzoic acid;1,2-Benzenedicarboxylic acid, mono(2-methylpropyl) ester;EINECS 250-352-6;BRN 3280781;K66VV25BGK;Phthalic Acid Monoisobutyl Ester;3-09-00-04104 (Beilstein Handbook Reference);2-[(2-methylpropoxy)carbonyl]benzoic acid;Phthalic acid, monoisobutyl ester 100 microg/mL in Methyl-tert-butyl ether;Phthalsaureisobutylester;UNII-K66VV25BGK;SCHEMBL226501;Monoisobutyl phthalate (MiBP);Phthalic acid 1-isobutyl ester;1,2-Benzenedicarboxylic Acid 1-(2-Methylpropyl) Ester;2-(Isobutoxycarbonyl)benzoicacid;DTXSID5052701;MIBP (Mono-isobutyl phthalate);Mono-isobutyl phthalate (MIBP);CHEBI:90038;MFCD01365921;AKOS022654386;AS-40084;HY-113220;LS-109367;CS-0059339;FT-0672485;FT-0672486;J-018160;Q26840950;1,2-Benzenedicarboxylic acid, 1-(2-methylpropyl) ester;1,2-Benzenedicarboxylic acid, mono(2-methylpropyl) ester (9CI)

Suppliers and Price of Monoisobutyl phthalate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Monoisobutyl Phthalate
100mg
$ 446.00

Usbiological
Monoisobutyl phthalate
50mg
$ 425.00

TRC
MonoisobutylPhthalate
1g
$ 1355.00

Crysdot
2-(Isobutoxycarbonyl)benzoicacid 95+%
5g
$ 1632.00

Crysdot
2-(Isobutoxycarbonyl)benzoicacid 95+%
1g
$ 465.00

American Custom Chemicals Corporation
MONOISOBUTYL PHTHALATE 95.00%
5MG
$ 505.76

Alichem
Monoisobutylphthalate
5g
$ 2000.00

Alichem
Monoisobutylphthalate
1g
$ 667.00

Alichem
Monoisobutylphthalate
250mg
$ 285.69

Total 11 raw suppliers

Chemical Property of Monoisobutyl phthalate

Chemical Property:

Vapor Pressure:1.06E-05mmHg at 25°C
Melting Point:78-80°C
Refractive Index:1.4560 (estimate)
Boiling Point:356.6°Cat760mmHg
PKA:3.37±0.36(Predicted)
Flash Point:135°C
PSA：63.60000
Density:1.171g/cm³
LogP:2.19760
Storage Temp.:Refrigerator
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:222.08920892
Heavy Atom Count:16
Complexity:260

Purity/Quality:

98%Min ^*data from raw suppliers

Monoisobutyl Phthalate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)COC(=O)C1=CC=CC=C1C(=O)O
Uses Phthalate metabolite.

Technology Process of Monoisobutyl phthalate

There total 5 articles about Monoisobutyl phthalate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 77.0%

: 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

: 30833-53-5
phtalic acid mono-iso-butyl ester

Guidance literature:: With potassium hydroxide; In water; dimethyl sulfoxide; at 0 ℃; for 10h; Solvent;
DOI:10.1016/j.tetlet.2017.12.061

Reference yield: 69.0%

: 78-83-1
2-methyl-propan-1-ol

: 2306-33-4
monoethyl phthalate

: 30833-53-5
phtalic acid mono-iso-butyl ester

Guidance literature:: at 120 ℃;
DOI:10.1021/acs.orglett.9b03196

Reference yield:

: 84-69-5
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

: 30833-53-5
phtalic acid mono-iso-butyl ester

: 88-99-3,73607-73-5
benzene-1,2-dicarboxylic acid

Guidance literature:: With recombinant Bacillus subtilis K₉₁ carboxylesterase; In methanol; aq. phosphate buffer; at 45 ℃; for 2h; pH=7.5; Kinetics; Enzymatic reaction;
DOI:10.1371/journal.pone.0119216