1-Undecanol - CAS 112-42-5

Technical Data

IUPAC Name:	undecan-1-ol
Description:	1-Undecanol (CAS# 112-42-5) is an antifungal, antioxidant compound. As well, it is used in the synthesis.
Molecular Weight:	172.31
Molecular Formula:	C11H24O
Canonical SMILES:	CCCCCCCCCCCO
InChI:	InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChI Key:	KJIOQYGWTQBHNH-UHFFFAOYSA-N
Boiling Point:	146 °C (30 torr)
Melting Point:	11-245 °C
Flash Point:	113°C
Purity:	95 %
Density:	0.831 g/cm³
Solubility:	water, 43.04 mg/L @ 25 °C (est)
Appearance:	Colourless liquid
Storage:	Sealed in dry, 2-8 °C
Decomposition:	When heated to decomposition it emit acrid smoke and irritating fumes
MDL:	MFCD00004751
LogP:	3.50950
Refractive Index:	1.437-1.442
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
Vapor Pressure:	0.00297 [mmHg]

GHS Hazard Statement:	H315 (21.36%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

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CN-113264842-A	Lipid compound, lipid carrier containing same, nucleic acid lipid nanoparticle composition and pharmaceutical preparation	20210721
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PMID	Publication Date	Title	Journal
25723132	20150501	Dispersive liquid-liquid microextraction method based on solidification of floating organic droplet for the determination of thiamphenicol and florfenicol in environmental water samples	Ecotoxicology and environmental safety
22967632	20120915	Dispersive liquid-liquid microextraction with non-halogenated extractants for trihalomethanes determination in tap and swimming pool water	Talanta
22386254	20120713	Determination of nitrophenols using ultrahigh pressure liquid chromatography and a new manual shaking-enhanced, ultrasound-assisted emulsification microextraction method based on solidification of a floating organic droplet	Journal of chromatography. A
22718499	20120601	Lyotropic mixture made of potassium laurate/1-undecanol/K2SO4/water presenting high birefringences and large biaxial nematic phase domain: a laser conoscopy study	The European physical journal. E, Soft matter
22541817	20120521	Fabrication of novel nanoporous array anodic alumina solid-phase microextraction fiber coating and its potential application for headspace sampling of biological volatile organic compounds	Analytica chimica acta

Complexity:	71.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.182715385
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.182715385
Rotatable Bond Count:	9
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6