Undecanal - CAS 112-44-7

Catalog:	BB002977
Product Name:	Undecanal
CAS:	112-44-7
Synonyms:	undecanal

Technical Data

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Computed Properties

IUPAC Name:	undecanal
Description:	Undecanal (CAS# 112-44-7 ) is a useful research chemical.
Molecular Weight:	170.29
Molecular Formula:	C11H22O
Canonical SMILES:	CCCCCCCCCCC=O
InChI:	InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChI Key:	KMPQYAYAQWNLME-UHFFFAOYSA-N
Boiling Point:	109-115 °C (5 mmHg)
Melting Point:	-2 °C
Purity:	Purified
Density:	0.825 g/cm³
Solubility:	14.27 mg/L at 25 °C (est)
Appearance:	Clear colorless to pale yellow liquid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00007016
LogP:	3.71610
Vapor Pressure:	0.06 [mmHg]

Publication Number	Title	Priority Date
CN-113456882-A	Chitosan sponge material modification method and application	20210630
CN-113462013-A	Porous-channel alkylated chitosan sponge, preparation method and application	20210630
CN-113466369-A	Online VOCs rapid monitoring system and method based on double cold traps preconcentration and flight time mass spectrum	20210630
JP-6945096-B1	Adsorbent replacement method and fuel cell system	20210416
CN-112973710-A	Copper-chromium catalyst, preparation method thereof and method for preparing alkanol by hydrogenating olefine aldehyde or aldehyde	20210224

PMID	Publication Date	Title	Journal
27965148	20170401	An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens	Toxicology in vitro : an international journal published in association with BIBRA
22797778	20120713	Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico	Molecules (Basel, Switzerland)
22208224	20120601	Immunotoxicity activity from the essential oils of coriander (Coriandrum sativum) seeds	Immunopharmacology and immunotoxicology
22480383	20120425	Separation and characterization of acetyl and non-acetyl hemicelluloses of Arundo donax by ammonium sulfate precipitation	Journal of agricultural and food chemistry
22354039	20120404	The CatSper channel: a polymodal chemosensor in human sperm	The EMBO journal

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GHS Hazard Statement:	H315 (83%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501
Signal Word:	Warning

Complexity:	89
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.167065321
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.167065321
Rotatable Bond Count:	9
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3