Butyl isobutyl phthalate - CAS 17851-53-5
Catalog: |
BB013479 |
Product Name: |
Butyl isobutyl phthalate |
CAS: |
17851-53-5 |
Synonyms: |
BIP; Phthalic acid, butyl isobutyl ester |
Application: |
Glycoside Hydrolase Inhibitors |
IUPAC Name: | 1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate |
Description: | Butyl isobutyl phthalate is a natural compound isolated from the rhizoid of Laminaria japonica and acts as an inhibitor of α-glucosidase with IC50 of 38 μM. |
Molecular Weight: | 278.34 |
Molecular Formula: | C16H22O4 |
Canonical SMILES: | CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
InChI: | InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3 |
InChI Key: | UVIVWIFUPKGWGF-UHFFFAOYSA-N |
Boiling Point: | 315.7±10.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
LogP: | 3.45630 |
Publication Number | Title | Priority Date |
CN-111035054-A | Method for preparing tar extract with aroma characteristics from waste cigarette butts and application of tar extract in cigarettes | 20191127 |
CN-111035055-A | Method for extracting tar aroma components in cigarette butts and application of tar aroma components in cigarettes | 20191127 |
CN-111035056-A | Preparation method of cigarette end tar extract and application of cigarette end tar extract in cigarettes | 20191127 |
CN-111035057-A | Method for preparing tar extract from waste cigarette butts and application of tar extract in cigarettes | 20191127 |
CN-111035058-A | Preparation method of tar extract in waste cigarette butts and application of tar extract in cigarettes | 20191127 |
PMID | Publication Date | Title | Journal |
21035325 | 20110201 | Phytotoxic and antifungal metabolites from Curvularia sp. FH01 isolated from the gut of Atractomorpha sinensis | Bioresource technology |
20870646 | 20110101 | Synthesis of butyl-isobutyl-phthalate and its interaction with α-glucosidase in vitro | Journal of biochemistry |
21031613 | 20101101 | α-Glucosidase inhibition and the in vivo hypoglycemic effect of butyl-isobutyl-phthalate derived from the Laminaria japonica rhizoid | Phytotherapy research : PTR |
17167204 | 20061201 | [The inhibitory effect of Hydrilla verticillata culture water on Microcystic aeruginosa and its mechanism] | Zhi wu sheng li yu fen zi sheng wu xue xue bao = Journal of plant physiology and molecular biology |
15617496 | 20031201 | [Research on components of Cornus officinalis extracted by supercritical carbon dioxide] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.15180918 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.15180918 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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