Basic information
- Name:
10-Undecenoic acid,zinc salt (2:1)
- Superlist Name:
- Zinc undecylenate
- CAS No.:
557-08-4
- Molecular Structure:
- Formula:
- C22H38O4Zn
- Molecular Weight:
- 431.92
- Deleted CAS:
- 30773-48-9
- Synonyms:
- 10-Undecenoicacid, zinc salt (8CI,9CI);Zinc 10-undecenoate (7CI);Mycoseptin;Tineafax;10-Undecenoic acid, zinc salt;10-Undecenoic acid, zinc salt (2:1);Zinc diundec-10-enoate;Zinc 10-undecenoate;10-Undecenoic acid, zinc (2+) salt;
- EINECS:
- 209-155-0
- Density:
- 1.63 g/cm3
- Melting Point:
- 118-121 °C(lit.)
- Boiling Point:
- 300.8 °C at 760 mmHg
- Flash Point:
- 145.8 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37/39-36 Details
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Specification
The Zinc Undecylenate with CAS registry number of 557-08-4 is also called 10-undecenoic acid, zinc salt (2:1). The IUPAC name is zinc diundec-10-enoate. Its EINECS registry number is 209-155-0. In addition, the formula is C22H38O4Zn and the molecular weight is 431.94372. It belongs to the class of Organic-metal Salt. And it can be prepared by undecenoic acid and zinc oxide. What's more, it can treat skin mycosis.
Physical properties about Zinc Undecylenate are: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 100.79; (6)ACD/BCF (pH 7.4): 1.62; (7)ACD/KOC (pH 5.5): 561.44; (8)ACD/KOC (pH 7.4): 9.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 145.8 °C; (14)Enthalpy of Vaporization: 59.5 kJ/mol; (15)Boiling Point: 300.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000257 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[O-]C(=O)CCCCCCCC\C=C.[O-]C(=O)CCCCCCCC\C=C
(2)InChI: InChI=1/2C11H20O2.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
(3)InChIKey: YMCOHQVWOBMDCZ-NUQVWONBAQ