Maltol Isobutyrate - CAS 65416-14-0
Catalog: |
BB032727 |
Product Name: |
Maltol Isobutyrate |
CAS: |
65416-14-0 |
Synonyms: |
2-methylpropanoic acid (2-methyl-4-oxo-3-pyranyl) ester; (2-methyl-4-oxopyran-3-yl) 2-methylpropanoate |
IUPAC Name: | (2-methyl-4-oxopyran-3-yl) 2-methylpropanoate |
Description: | Maltol Isobutyrate (CAS# 65416-14-0 ) is a useful research chemical. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | CC1=C(C(=O)C=CO1)OC(=O)C(C)C |
InChI: | InChI=1S/C10H12O4/c1-6(2)10(12)14-9-7(3)13-5-4-8(9)11/h4-6H,1-3H3 |
InChI Key: | VSBHYRPUJHEOBE-UHFFFAOYSA-N |
Boiling Point: | 286.06 °C (EPI 4.0) |
Flash Point: | >110°C |
Purity: | 98.0 % |
Density: | 1.149 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless to yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
LogP: | 1.50960 |
Refractive Index: | 1.493 : 1.501 at 20 deg C |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
RU-2752883-C1 | Bulked milk food flavor | 20201229 |
RU-2749460-C1 | Food flavoring that gives taste and aroma of cream | 20201110 |
RU-2748167-C1 | Strawberry food flavoring | 20201020 |
CN-111892565-A | Preparation method of strawberry acid ethyl maltol ester | 20200807 |
JP-2021164424-A | Collagen-derived unpleasant odor masking agent | 20200407 |
PMID | Publication Date | Title | Journal |
18551832 | 20070101 | Evaluation of certain food additives and contaminants | World Health Organization technical report series |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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