3-Methyldodecanoic acid
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3-Methyldodecanoic acid
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CAS No:
13490-36-3
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Formula:
C13H26O2
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Chemical Name:
3-Methyldodecanoic acid
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Synonyms:
Dodecanoic acid,3-methyl-;3-Methyldodecanoic acid
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CAS No:
Characteristics
37.30000
4.23790
0.9g/cm3
22 °C
149-154 °C @ Press: 5 Torr
176.7ºC
1.448
5.4E-05mmHg at 25°C
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, 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.
3-Methyldodecanoic acid Use and Manufacturing
Dodecanoic acid, 3-methyl-: INACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:214.34
XLogP3:5.4
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:155
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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