4-Methyloctanoic acid
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4-Methyloctanoic acid
structure -
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CAS No:
54947-74-9
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Formula:
C9H18O2
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Chemical Name:
4-Methyloctanoic acid
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Synonyms:
Octanoic acid,4-methyl-;4-Methyloctanoic acid;4-Methylcaprylic acid;Hircinoic acid;153831-54-0
- Categories:
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CAS No:
Description
4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1].
clear, colourless liquid with a goat, costus, mutton odour
4-methyl-octanoic acid is a medium-chain fatty acid.
Characteristics
37.3
3
COA
0.091518 g/cm3 @ Temp: 20 °C
110.5-111.5 °C
140-142 °C @ Press: 10 Torr
>230 °F
1.439
−20°C
Safety Information
III
8
UN 3265 8/PG 3
1
34-36/37/38-21/22
26-36/37/39-45
C,Xi,Xn
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): 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 1463 companies from 6 notifications to the ECHA C&L Inventory.
4-Methyloctanoic acid Use and Manufacturing
Octanoic acid, 4-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Flavoring Agents
Computed Properties
Molecular Weight:158.24
XLogP3:3
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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