3-Methylhexanoic acid
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3-Methylhexanoic acid
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CAS No:
3780-58-3
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Formula:
C7H14O2
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Chemical Name:
3-Methylhexanoic acid
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Synonyms:
Hexanoic acid,3-methyl-;3-Methylhexanoic acid;3-Methylhexylic acid;3-Methylcaproic acid;NSC 1248;NSC 74522;22263-24-7
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CAS No:
Characteristics
37.30000
1.89730
0.9187 g/cm3 @ Temp: 20 °C
84-86 °C
212-213 °C @ Press: 755 Torr
102.8ºC
1.431
Safety Information
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Methylhexanoic acid Use and Manufacturing
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Flavoring Agents
Computed Properties
Molecular Weight:130.18
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:88.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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