2-Methyloctanoic acid
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2-Methyloctanoic acid
structure -
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CAS No:
3004-93-1
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Formula:
C9H18O2
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Chemical Name:
2-Methyloctanoic acid
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Synonyms:
Octanoic acid,2-methyl-;2-Methyloctanoic acid;α-Methylcaprylic acid;(±)-2-Methyloctanoic acid;NSC 33927;128441-05-4
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CAS No:
Safety Information
36/37/38
26-36/37/39
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (99.77%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 443 companies from 3 notifications to the ECHA C&L Inventory.
2-Methyloctanoic acid Use and Manufacturing
Octanoic acid, 2-methyl-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Defoamers|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:158.24
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:110
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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