(undec-10-enoyloxy)zincio undec-10-enoate

• ChemBase ID: 105737
• Molecular Formular: C22H38O4Zn
• Molecular Mass: 431.91472
• Monoisotopic Mass: 430.2061517
• SMILES: C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C
• InChI: InChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2
• InChIKey: YMCOHQVWOBMDCZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (undec-10-enoyloxy)zincio undec-10-enoate
• IUPAC Traditional name: (undec-10-enoyloxy)zincio undec-10-enoate
• Synonyms: Mycoseptin; Tineafax; 10-Undecylenic acid zinc salt; Zinc undecylenate; 10-Undecenoic Acid Zinc Salt; ZINC UNDECYLENATE; UNDECYLENIC ACID; 10-十一烯酸 锌盐; 十一烯酸锌

Database IDs

• CAS Number: 557-08-4
• EC Number: 209-155-0
• MDL Number: MFCD00067246
• PubChem SID: 162092799; 24859801
• PubChem CID: 11259000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.3036
• LogD (pH = 7.4): 6.3036
• Log P: 6.3036
• Molar Refractivity: 106.3902 cm^3
• Polarizability: 45.565216 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 118-121 °C(lit.)
• Vapor Density: 14.9 (vs air)

Safety Information

• Storage Condition: 0°C
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:15-17-58
• Safety Statements: S:7/8-61
• Emergency Response Guidebook(ERG) Number: 171
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: [H2C=CH(CH2)8CO2]2Zn

DETAILS

MP Biomedicals - 02193893

Zinc Salt
Purity: 98%

Sigma Aldrich - 329584

Packaging
500 g in glass bottle