Bitertanol - analytical standard , CAS No.55179-31-2

CAS: 55179-31-2 Cat. No.: B114452 Molecular Weight: 337.42 EC Number: 259-513-5
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
Bitertanol|55179-31-2|Biloxazol|Baycor|Sibutol|Baymat-spray|Baycor 25 WP|Bay KWG 0599|KWG 0599|3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol|DTXSID2037502|CHEBI:83851|MMV688942|Biloxazol; Baycor; Sibutol;KWG0599|Bitertanol 10 microg/mL
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
50mg
B114452-50mg
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$18.90

$21.90
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250mg
B114452-250mg
3
$85.90
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Bitertanol | 55179-31-2 | Biloxazol | Baycor | Sibutol | Baymat-spray | Baycor 25 WP | Bay KWG 0599 | KWG 0599 | 3, 3-dimethyl-1-(4-phenylphenoxy)-1-(1, 2, 4-triazol-1-yl)butan-2-ol | DTXSID2037502 | CHEBI:83851 | MMV688942 | Biloxazol; Baycor; Sibutol;KWG0599 | Bitertanol 10 microg/mL
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O
IUPAC Name3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChIKeyVGPIBGGRCVEHQZ-UHFFFAOYSA-N
INCHI1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
Isomeric SMILES CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O
UN Number 2811
Molecular Weight 337.42
Reaxy-Rn 620948
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=620948&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Not available
Direct ParentBiphenyls and derivatives
Alternative Parents Phenoxy compounds  Phenol ethers  Triazoles  Heteroaromatic compounds  Secondary alcohols  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Biphenyl - Phenoxy compound - Phenol ether - Azole - Heteroaromatic compound - 1,2,4-triazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors Pesticides
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FECH Tchem Ferrochelatase, mitochondrial (678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HMBS Tbio Porphobilinogen deaminase (404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania infantum (5912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei (78846 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Colletotrichum truncatum (198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
K2011057Certificate of AnalysisMar 20, 2026 B114452
A2404246Certificate of AnalysisOct 11, 2025 B114452
E2417393Certificate of AnalysisMar 20, 2024 B114452
E1519014Certificate of AnalysisSep 16, 2022 B114452
Chemical and Physical Properties
Melt Point(°C)118°C
Molecular Weight337.400 g/mol
XLogP34.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass337.179 Da
Monoisotopic Mass337.179 Da
Topological Polar Surface Area60.200 Ų
Heavy Atom Count25
Formal Charge0
Complexity398.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Yanhui Zhang, Tingze Ren, Ruiyu Fu, Qingxin Lu, Xiaoli Guo, Xin Di.  (2023)  An effervescence-assisted switchable deep eutectic solvent based liquid-phase microextraction of triazole fungicides in drinking water and beverage.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37343404] [10.1016/j.chroma.2023.464149]
2. Ruiyu Fu, Tingze Ren, Yanhui Zhang, Qingxin Lu, Xiaoli Guo, Xin Di.  (2023)  Hexafluoroisopropanol-based supramolecular solvent for liquid phase microextraction of triazole fungicides in drinking water and beverages.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108842]
3. Yuxin Wang, Jin Liu, Suzhen Li, Jizhen Fu, Xiaowen Wang, Li Li, Xu Jing.  (2025)  Automated high-throughput dispersive liquid-liquid microextraction coupled with UHPLC-MS/MS for detecting triazole fungicides in water, juices, wine, and tea.  Food Chemistry-X,      [PMID:40686910] [10.1016/j.fochx.2025.102712]
Solution Calculators
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