Octyl Benzoate - CAS 94-50-8
Catalog: |
BB041401 |
Product Name: |
Octyl Benzoate |
CAS: |
94-50-8 |
Synonyms: |
benzoic acid octyl ester; octyl benzoate |
IUPAC Name: | octyl benzoate |
Description: | Octyl Benzoate (CAS# 94-50-8) is a useful research chemical compound. |
Molecular Weight: | 234.33 |
Molecular Formula: | C15H22O2 |
Canonical SMILES: | CCCCCCCCOC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
InChI Key: | VECVSKFWRQYTAL-UHFFFAOYSA-N |
Boiling Point: | 320.7 °C at 760 mmHg |
Density: | 0.964 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00995104 |
LogP: | 4.20390 |
Publication Number | Title | Priority Date |
EP-3842489-A1 | Heterophasic propylene polymer material and use of the same | 20191224 |
US-2021189110-A1 | Heterophasic propylene polymer material and use of the same | 20191224 |
WO-2021110680-A1 | Enol ether properfume | 20191203 |
EP-3744784-A1 | Thermoplastic elastomer composition and method of producing the same | 20190531 |
US-2020377708-A1 | Thermoplastic elastomer composition and method of producing the same | 20190531 |
PMID | Publication Date | Title | Journal |
22291900 | 20120101 | Expression in antennae and reproductive organs suggests a dual role of an odorant-binding protein in two sibling Helicoverpa species | PloS one |
11212107 | 20010212 | Antifungal activity of octyl gallate: structural criteria and mode of action | Bioorganic & medicinal chemistry letters |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.16197994 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.16197994 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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