Undecanoic acid - CAS 112-37-8

Catalog:	BB002953
Product Name:	Undecanoic acid
CAS:	112-37-8
Synonyms:	Undecanoate; Hendecanoic acid; 1-Decanecarboxylic Acid; NSC 7885; Undecylic Acid; N-Undecanoic Acid; N-Undecoic Acid; N-Undecylic Acid

Technical Data

IUPAC Name:	undecanoic acid
Description:	Undecanoic acid, a saturated fatty acid with antimycotic properties, can inhibit the production of exocellular keratinase, lipase and the biosynthesis of several phospholipids in T. rubrum.
Molecular Weight:	186.29
Molecular Formula:	C11H22O2
Canonical SMILES:	CCCCCCCCCCC(=O)O
InChI:	InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChI Key:	ZDPHROOEEOARMN-UHFFFAOYSA-N
Boiling Point:	283.3±3.0°C at 760 mmHg
Melting Point:	28-31°C
Flash Point:	greater than 230 °F
Purity:	95%
Density:	0.909 g/cm³
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-white Low-melting Solid
Storage:	Store at RT
MDL:	MFCD00002730
LogP:	3.60180
Refractive Index:	1.418 (70°C)
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.00 mmHg

GHS Hazard Statement:	H314 (17.59%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
US-10940133-B1	Methods of providing solriamfetol therapy to subjects with impaired renal function	20200319
US-2020360675-A1	Kits for topical,isotonic compositions	20191223
US-2021186890-A1	Process of preparing mrna-loaded lipid nanoparticles	20191220
US-2021189018-A1	Hyaluronic acid derivatives	20191220

PMID	Publication Date	Title	Journal
31721581	20200312	An Agonist Radioligand for the Proinflammatory Lipid-Activated G Protein-Coupled Receptor GPR84 Providing Structural Insights	Journal of medicinal chemistry
29445768	20180101	HsTRPA of the Red Imported Fire Ant, Solenopsis invicta, Functions as a Nocisensor and Uncovers the Evolutionary Plasticity of HsTRPA Channels	eNeuro
22991188	20120901	Investigations on hydrogen isotope ratios of endogenous urinary steroids: reference-population-based thresholds and proof-of-concept	Drug testing and analysis
22858839	20120802	Synthesis and antibacterial activities of amphiphilic neomycin B-based bilipid conjugates and fluorinated neomycin B-based lipids	Molecules (Basel, Switzerland)
22761135	20120701	Time-dependent column performance of cholesterol-based stationary phases for HPLC by LC characterization and solid-state NMR spectroscopy	Journal of separation science

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.161979940
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.161979940
Rotatable Bond Count:	9
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7