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isostearyl Alcohol
16-methylheptadecanoic acid
Conditions | Yield |
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With potassium permanganate; tetrabutylammomium bromide; acetic acid In dichloromethane; water for 24h; Reflux; | 82% |
8-methylnonanoic acid
sebacic acid mono methyl ester
16-methylheptadecanoic acid
Conditions | Yield |
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With methanol; sodium und bei der Elektrolyse des Reaktionsgemisches und Behandlung des Reaktionsprodukts mit wss.-methanol.Alkalilauge; |
16-methyl-10-oxo-heptadecanoic acid
16-methylheptadecanoic acid
Conditions | Yield |
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With hydroxide; hydrazine |
16-methylheptadecanoic acid
Conditions | Yield |
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With hydrogenchloride; amalgamated zinc; acetic acid |
16-methylheptadecanoic acid
Conditions | Yield |
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With hydrogenchloride; amalgamated zinc; acetic acid |
1-chloro-5-iodopentane
16-methylheptadecanoic acid
Conditions | Yield |
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Multi-step reaction with 4 steps 1: liquid ammonia 2: ethanol / Erhitzen der Reaktionsloesung mit wss.Natronlauge 3: platinum; ethyl acetate / Hydrogenation View Scheme |
16-methylheptadecanoic acid
Conditions | Yield |
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Multi-step reaction with 3 steps 1: ethanol / Erhitzen der Reaktionsloesung mit wss.Natronlauge 2: platinum; ethyl acetate / Hydrogenation View Scheme |
12-methyl-tridec-7-ynoic acid
16-methylheptadecanoic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: platinum; ethyl acetate / Hydrogenation View Scheme |
The Heptadecanoic acid,16-methyl-, with the CAS registry number 2724-58-5, is also known as Isooctadecanoic acid. Its EINECS number is 220-336-3. This chemical's molecular formula is C18H36O2 and molecular weight is 284.48. What's more, its systematic name is 16-methylheptadecanoic acid.
Physical properties of Heptadecanoic acid,16-methyl- are: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.24; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 119777.13; (6)ACD/BCF (pH 7.4): 1921.53; (7)ACD/KOC (pH 5.5): 89208.37; (8)ACD/KOC (pH 7.4): 1431.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 86.96 cm3; (15)Molar Volume: 320.6 cm3; (16)Polarizability: 34.47×10-24cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.887 g/cm3; (19)Flash Point: 225.6 °C; (20)Enthalpy of Vaporization: 71.52 kJ/mol; (21)Boiling Point: 400.8 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
(3)InChIKey: XDOFQFKRPWOURC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | > 32mL/kg (32mL/kg) | International Journal of Toxicology. Vol. 18 |