2-Butyloctanoic acid - CAS 27610-92-0

Catalog:	BB019623
Product Name:	2-Butyloctanoic acid
CAS:	27610-92-0
Synonyms:	2-butyloctanoic acid

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Computed Properties

IUPAC Name:	2-butyloctanoic acid
Description:	2-Butyloctanoic acid (CAS# 27610-92-0) is a fenton and photo-fenton oxidation of textile effluents.
Molecular Weight:	200.32
Molecular Formula:	C12H24O2
Canonical SMILES:	CCCCCCC(CCCC)C(=O)O
InChI:	InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
InChI Key:	OARDBPIZDHVTCK-UHFFFAOYSA-N
Boiling Point:	230 °C
Flash Point:	113°C
Density:	0.887 g/mL at 25 °C (lit.)
MDL:	MFCD00661074
LogP:	3.84780
Refractive Index:	n20/D 1.438(lit.)
Stability:	Stable. Incompatible with strong oxidizing agents. Combustible.

Publication Number	Title	Priority Date
WO-2021123309-A1	Composition comprising a dispersion of polymer particles in a non-aqueous medium, a cationic polymer and an anionic polymer	20191220
EP-3838964-A1	Polyurethane foams based on polyether carbonate polyols	20191218
WO-2021122431-A1	Polyurethane foams based on polyether carbonate polyols	20191218
WO-2021104645-A1	Rim block with improved scent performance	20191129
WO-2021083657-A1	Cosmetic preparation comprising alkaline earth metal salts, carboxylic acids and emulsifiers having branched hydrophobic chains	20191028

PMID	Publication Date	Title	Journal
22007150	20110101	Synthesis and physical properties of estolide ester using saturated Fatty Acid and ricinoleic Acid	Journal of automated methods & management in chemistry

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GHS Hazard Statement:	H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.177630004
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.177630004
Rotatable Bond Count:	9
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3