7-Methyloctanoic acid
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7-Methyloctanoic acid
structure -
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CAS No:
693-19-6
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Formula:
C9H18O2
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Chemical Name:
7-Methyloctanoic acid
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Synonyms:
Octanoic acid,7-methyl-;7-Methyloctanoic acid;Isopelargonic acid;Isononanoic acid
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CAS No:
Description
ChEBI: A branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group.
PelletsLargeCrystals
7-methyloctanoic acid is a branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid.
7-Methyloctanoic acid Basic Attributes
158.23800
158.24
248-092-3
M3MIU88L6U
DTXSID2027915
2915900090
Characteristics
37.30000
2.67750
PelletsLargeCrystals
0.919 g/cm3
3-5 °C
140.5 °C @ Press: 15 Torr
129.7ºC
Safety Information
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Danger|H302 (75.83%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 153 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
7-Methyloctanoic acid Use and Manufacturing
Bleaching agents
Cleaning and furnishing care products
Petroleum lubricating oil and grease manufacturing|Isononanoic acid: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:158.24
XLogP3:3.3
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:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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