Name: Name:Octyl benzoate
Brand: AABLOCKS
SKU: AA00GTT0
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00GTT0

Chemical Name: Octyl benzoate

CAS Number: 94-50-8

Molecular Formula: C15H22O2

Molecular Weight: 234.3340

MDL Number: MFCD00995104

SMILES: CCCCCCCCOC(=O)c1ccccc1

NSC Number: 21846

Properties

Complexity: 195

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 17

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 9

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 5.7

Downstream Synthesis Route

111-87-5

98-88-4

94-50-8

[1]TetrahedronLetters,2005,vol.46,p.7841-7844

[2]JournaloftheChemicalSociety.PerkintransactionsI,1998,p.1913-1917

[3]AdvancedSynthesisandCatalysis,2006,vol.348,p.2057-2062

[4]TetrahedronLetters,2004,vol.45,p.6775-6778

[5]TetrahedronLetters,2005,vol.46,p.147-151

[6]Tetrahedron,2005,vol.61,p.10903-10907

[7]Tetrahedron,2007,vol.63,p.12071-12080

[8]EuropeanJournalofPharmaceuticalSciences,2018,vol.122,p.31-41

[9]JournalofOrganicChemistry,1993,vol.58,p.3791-3793

[10]JournaloftheChemicalSociety,1896,vol.69,p.1241 JournaloftheChemicalSociety,1900,vol.77,p.278

[11]JournaloftheChemicalSociety,1962,p.130-137

[12]SyntheticCommunications,2008,vol.38,p.2845-2856

[13]Chemistry-AEuropeanJournal,2021,vol.27,p.7915-7922

111-87-5

65-85-0

94-50-8

[1]OrganicLetters,2000,vol.2,p.2999-3001

[2]CanadianJournalofChemistry,1993,vol.71,p.90-95

[3]Tetrahedron,2017,vol.73,p.5321-5326

[4]SyntheticCommunications,2004,vol.34,p.2085-2093

[5]RSCAdvances,2013,vol.3,p.3848-3852

[6]BulletinoftheKoreanChemicalSociety,2010,vol.31,p.2361-2367

[7]Tetrahedron,2016,vol.72,p.720-725

[8]TetrahedronLetters,2000,vol.41,p.5249-5252

[9]JournalofChemicalResearch,2004,p.564-565

[10]AdvancedSynthesisandCatalysis,2013,vol.355,p.448-462

[11]TetrahedronLetters,2001,vol.42,p.7427-7430

[12]Tetrahedron,2003,vol.59,p.5337-5345

[13]Tetrahedron,2006,vol.62,p.422-433

[14]JournalofOrganicChemistry,2009,vol.74,p.5967-5974

[15]TetrahedronLetters,2013,vol.54,p.1972-1975

[16]TetrahedronLetters,2013,vol.54,p.6665-6668

[17]TetrahedronLetters,2007,vol.48,p.3053-3056

[18]Tetrahedron,2010,vol.66,p.9596-9601

[19]AdvancedSynthesisandCatalysis,2005,vol.347,p.33-38

[20]JournalofChemicalResearch,2005,p.488-491

[21]OrganicPreparationsandProceduresInternational,2016,vol.48,p.72-80

[22]JournalofOrganicChemistry,2008,vol.73,p.4882-4887

[23]BulletinoftheChemicalSocietyofJapan,1999,vol.72,p.455-458

[24]JournalofChemicalResearch-PartS,2003,p.172-173

[25]Patent:EP1731498,2006,A1.Locationinpatent:Page/Pagecolumn20

[26]ChemicalCommunications,2015,vol.51,p.3131-3134

[27]Molecules,2019,vol.24

[28]Patent:EP1731498,2006,A1.Locationinpatent:Page/Pagecolumn20

[29]Molecules,2018,vol.23

[30]SyntheticCommunications,2013,vol.43,p.2906-2912

[31]KogyoKagakuzasshi/JournaloftheSocietyofChemicalIndustry,1956,vol.59,p.895,897 TechnologyReportsoftheOsakaUniversity,1957,vol.7,p.199,203

[32]JournaloftheAmericanChemicalSociety,1973,vol.95,p.6056-6067

[33]BioorganicandMedicinalChemistryLetters,1998,vol.8,p.2385-2390

[34]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.347-350

[35]RussianJournalofOrganicChemistry,2003,vol.39,p.794-796

[36]TetrahedronLetters,2008,vol.49,p.6573-6574

[37]Tetrahedron,2012,vol.68,p.3885-3892

[38]TetrahedronLetters,2012,vol.53,p.5151-5155

[39]JournalofMolecularCatalysisA:Chemical,2013,vol.379,p.46-52

[40]HelveticaChimicaActa,2019,vol.102

70737-75-6

94-50-8

[1]Synthesis,1981,p.51-53

[2]Synthesis,1979,p.223-227

111-87-5

1484-17-9

94-50-8

[1]BulletinoftheChemicalSocietyofJapan,1968,vol.41,p.2111-2114

629-46-9

100-52-7

94-50-8

[1]JournaloftheChemicalSociety,1962,p.130-137

Literature fold

Title: Expression in antennae and reproductive organs suggests a dual role of an odorant-binding protein in two sibling Helicoverpa species.

Journal: PloS one20120101

Title: Antifungal activity of octyl gallate: structural criteria and mode of action.

Journal: Bioorganic & medicinal chemistry letters20010212

94-50-8 | Octyl benzoate