2-Butyloctanoic acid
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2-Butyloctanoic acid
structure -
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CAS No:
27610-92-0
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Formula:
C12H24O2
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Chemical Name:
2-Butyloctanoic acid
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Synonyms:
Octanoic acid,2-butyl-;2-Butyloctanoic acid;α-Butylcaprylic acid;Isocarb 12;Jaric I 12;2-Butyl-caprylic acid;53687-45-9
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CAS No:
Characteristics
37.3
3.84780
0.8923 g/cm3 @ Temp: 20 °C
114-116 °C @ Press: 2.5 Torr
113 °C
n20/D 1.438(lit.)
Safety Information
NONH for all modes of transport
1
36/37/38
26-36
RH0368000
Xi
Stable. Incompatible with strong oxidizing agents. Combustible.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (75%): 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|Aggregated GHS information provided by 55 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Butyloctanoic acid Use and Manufacturing
Octanoic acid, 2-butyl-: ACTIVE
Cosmetics -> Cleansing; Emulsifying; Surfactant
Computed Properties
Molecular Weight:200.32
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:200.177630004
Monoisotopic Mass:200.177630004
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:143
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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