(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase ID: 157072
• Molecular Formular: C22H26O3
• Molecular Mass: 338.44004
• Monoisotopic Mass: 338.18819469
• SMILES: CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCc1cc(oc1)Cc1ccccc1)C
• Canonical SMILES: CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C
• InChI: InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m1/s1
• InChIKey: VEMKTZHHVJILDY-UXHICEINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: bioresmethrin
• Synonyms: Bioresmethrin; 生物苄呋菊酯

Database IDs

• CAS Number: 28434-01-7
• EC Number: 249-014-0
• MDL Number: MFCD00078627
• Beilstein Number: 1626511
• PubChem SID: 162251209; 24868817
• PubChem CID: 162381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.067613
• LogD (pH = 7.4): 5.067613
• Log P: 5.067613
• Molar Refractivity: 99.8796 cm^3
• Polarizability: 38.600327 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: GZ1310500
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H410
• GHS Precautionary statements: P273-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C22H26O3

DETAILS

Sigma Aldrich - 31496

Legal Information
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