Bitertanol

Description

Bitertanol · CAS 55179-31-2 · C20H23N3O2. UNII GR7Z3Z59G9. Vapor Pressure: 0.0000075 [mmHg]; LogP: 4.1; Ionization Efficiency: 2.83.

Identification

CAS Registry Number	55179-31-2
PubChem CID	91656
Molecular formula	C20H23N3O2
IUPAC name	3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
UNII (FDA)	GR7Z3Z59G9

Computed Descriptors

Molecular Weight	337.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	337.17902698
Monoisotopic Mass	337.17902698
Topological Polar Surface Area	60.2
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	0.0000075 [mmHg]
LogP	4.1
Ionization Efficiency	2.83
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1038/s41598-020-62573-z

Physical description & handling notes

• Colorless solid; [Merck Index] Colorless crystalline solid with an aromatic odor; [AccuStandard MSDS]
• Positive
• Agilent XCT
• Electrospray ionization
• formic acid (5.3nM)

GHS Hazard Classification

Reported hazard statements	H302 (84.3%), H330 (86.3%), H401, H411, H361

Documented Uses

• Used as post-emergence fungicide for bananas and plantains; [Reference #1]
• Not registered for use in the US; Tolerances for imported bananas and plantains; [Reference #1]
• Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

Synonyms

Bitertanol; 55179-31-2; Baycor; Biloxazol; Baycor 25 WP; 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol; Bay KWG 0599; KWG 0599; DTXSID2037502; GR7Z3Z59G9; DTXCID0017502; 1-(4-Phenylphenoxy)-1-(1,2,4-triazole-1)-3,3-dimethylbutan-2-ol; 1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-; beta-((1,1'-Biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; RefChem:569582; BAY KWG-0599

Frequently Asked Questions

What are the CAS number and molecular formula of Bitertanol?

CAS 55179-31-2; molecular formula C20H23N3O2; molecular weight — g/mol.

What other names is Bitertanol known by?

Bitertanol, 55179-31-2, Baycor, Biloxazol, Baycor 25 WP, 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol.

Is Bitertanol classified as hazardous?

Hazard statements reported: H302, H330, H401, H411, H361.

What are the key physical properties of Bitertanol?

Vapor Pressure: 0.0000075 [mmHg]; LogP: 4.1; Ionization Efficiency: 2.83; Ionization Efficiency: 2.7.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.