Methyl pentadecanoate
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Methyl pentadecanoate
structure -
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CAS No:
7132-64-1
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Formula:
C16H32O2
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Chemical Name:
Methyl pentadecanoate
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Synonyms:
Pentadecanoic acid,methyl ester;Methyl pentadecanoate;Methyl n-pentadecanoate
- Categories:
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CAS No:
Description
Colorless liquid. Insoluble in water; soluble in alcoholand ether. Combustible.
Liquid
Methyl pentadecanoate is a fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol. It has a role as a plant metabolite and a bacterial metabolite. It derives from a pentadecanoic acid.
Methyl pentadecanoate Basic Attributes
256.42
256.42
230-430-6
8K0ZV6FAIZ
DTXSID4028888|DTXSID4040769
2915900090
Characteristics
26.3
5.25060
Liquid
0.865 g/mL at 20 °C
18.5 °C
141.5 °C
>230 °F
n20/D 1.438(lit.)
1.63e-04 mmHg
Safety Information
NONH for all modes of transport
3
41
26-39
Xi
P280-P305 + P351 + P338
H318
|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory.|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 9 companies from 2 notifications to the ECHA C&L Inventory.
Methyl pentadecanoate Use and Manufacturing
Intermediate in organic synthesis, reagent med-ical research.
Fuels and fuel additives
Agricultural products (non-pesticidal)
250,000,000 - 500,000,000 lb
Agriculture, forestry, fishing and hunting|Fatty acids, C12-18, Me esters: ACTIVE|Pentadecanoic acid, methyl ester: ACTIVE
EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Computed Properties
Molecular Weight:256.42
XLogP3:7.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:14
Exact Mass:256.240230259
Monoisotopic Mass:256.240230259
Topological Polar Surface Area:26.3
Heavy Atom Count:18
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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