Isotridecanoic acid
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Isotridecanoic acid
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CAS No:
25448-24-2
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Formula:
C13H26O2
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Chemical Name:
Isotridecanoic acid
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Synonyms:
Isotridecanoic acid;Cekanoic acid;26403-18-9;79548-60-0
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CAS No:
Description
Isotridecanoic acid is a branched-chain saturated fatty acid comprising dodecanoic (lauric) acid substituted at position 11 by a methyl group. It is a methyl-branched fatty acid, a branched-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an isotridecanoate.
Characteristics
37.3 Ų
0.8466
37-40 °C
150 °C @ Press: 2 Torr
1.4282 (estimate)
153.22 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated]
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Isotridecanoic acid Use and Manufacturing
Isotridecanoic acid: INACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:214.34
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:214.193280068
Monoisotopic Mass:214.193280068
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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