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| CAS No.: | 21382-25-2 |
|---|---|
| Name: | (CIS)-8-METHYLNON-6-ENOIC ACID |
| Molecular Structure: | |
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| Formula: | C10H18O2 |
| Molecular Weight: | 170.25 |
| Synonyms: | 6-Nonenoic acid, 8-methyl-, (6Z)-; |
| Density: | 0.934 g/cm3 |
| Boiling Point: | 267 °C at 760 mmHg |
| Flash Point: | 164.3 °C |
| Appearance: | yellow oil |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 2.84360 |
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Specification
The 6-Nonenoic acid,8-methyl-, with the CAS registry number of 21382-25-2, is also known as 6-Nonenoic acid, 8-methyl-, (6Z)-. This chemical's molecular formula is C10H18O2 and molecular weight is 170.25. What's more, its systematic name is (6Z)-8-Methylnon-6-enoic acid.
Physical properties about the 6-Nonenoic acid,8-methyl- are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 30.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 231.8; (8)ACD/KOC (pH 7.4): 3.7; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 49.95 cm3; (15)Molar Volume: 182.2 cm3; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 0.934 g/cm3; (18)Flash Point: 164.3 °C; (19)Enthalpy of Vaporization: 55.59 kJ/mol; (20)Boiling Point: 267 °C at 760 mmHg; (21)Vapour Pressure: 0.0024 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may causes burns. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCC\C=C/C(C)C
(2) InChI: InChI=1/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5-
(3) InChIKey: OCALSPDXYQHUHA-ALCCZGGFBX