Basic information
- Name:
Undecanoic acid,10-methyl-
- CAS No.:
2724-56-3
- Molecular Structure:
- Formula:
- C12H24O2
- Molecular Weight:
- 200.3178
- Synonyms:
- 10-Methylundecanoicacid;Isododecanoic acid;Isolauric acid;
- Density:
- 0.903 g/cm3
- Boiling Point:
- 306.6 °C at 760 mmHg
- Flash Point:
- 165.7 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The Undecanoic acid,10-methyl-, with CAS registry number 2724-56-3, has the systematic name of 10-methylundecanoic acid. Besides this, it is also called Isoundecanoic acid. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C12H24O2.
Physical properties of Undecanoic acid,10-methyl-: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 452.39; (6)ACD/BCF (pH 7.4): 7.26; (7)ACD/KOC (pH 5.5): 1645.03; (8)ACD/KOC (pH 7.4): 26.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 59.16 cm3; (15)Molar Volume: 221.6 cm3; (16)Polarizability: 23.45×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.903 g/cm3; (19)Flash Point: 165.7 °C; (20)Enthalpy of Vaporization: 60.17 kJ/mol; (21)Boiling Point: 306.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000174 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Undecanoic acid,10-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(O)CCCCCCCCC(C)C
(2)InChI: InChI=1/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
(3)InChIKey: QJRRBVNPIKYRQJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
(5)Std. InChIKey: QJRRBVNPIKYRQJ-UHFFFAOYSA-N