Heneicosanoic acid
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Heneicosanoic acid
structure -
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CAS No:
2363-71-5
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Formula:
C21H42O2
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Chemical Name:
Heneicosanoic acid
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Synonyms:
Heneicosanoic acid;n-Heneicosanoic acid;Heneicosylic acid
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CAS No:
Description
white shiny fluffy crystalline powder
Solid
Henicosanoic acid is a long-chain fatty acid that is henicosane in which one of the methyl groups has been oxidised to give the corresponding carboxylic acid. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of a henicosanoate.
Characteristics
37.30000
9.81
Solid
0.9±0.1 g/cm3
75-76 °C
168-171 °C @ Press: 2 Torr
173.1±12.5 °C
1.458
0.0001927 mg/L @ 25 °C (est)
Safety Information
NONH for all modes of transport
3
36/37/38
S26-S36
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Heneicosanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Computed Properties
Molecular Weight:326.6
XLogP3:9.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:19
Exact Mass:326.318480578
Monoisotopic Mass:326.318480578
Topological Polar Surface Area:37.3
Heavy Atom Count:23
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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