1-Phenyldodecane - CAS 123-01-3

Technical Data

IUPAC Name:	dodecylbenzene
Description:	1-Phenyldodecane (CAS# 123-01-3) is a useful research chemical.
Molecular Weight:	246.43
Molecular Formula:	C18H30
Canonical SMILES:	CCCCCCCCCCCCC1=CC=CC=C1
InChI:	InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
InChI Key:	KWKXNDCHNDYVRT-UHFFFAOYSA-N
Boiling Point:	288-300 °C
Melting Point:	-7 °C
Flash Point:	124°C
Purity:	97 %
Density:	0.85 g/cm³
Solubility:	less than 1 mg/mL at 77 °F
Appearance:	Colorless liquid with a weak oily odor. floats on water.
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008974
LogP:	6.15000
Refractive Index:	1.4824
Stability:	Stable. Incompatible with strong oxidizing agents. Combustible.
Vapor Pressure:	211.97 mmHg

GHS Hazard Statement:	H315 (33.9%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2015197156-A1	Materials for organic electroluminescent devices	20140625
US-2015370143-A1	Display apparatus and display apparatus manufacturing method	20140624
WO-2015192939-A1	Materials for organic electroluminescent devices	20140618
US-2015364356-A1	Sectional porous carrier forming a temporary impervious support	20140611
WO-2015185430-A1	Agrochemical suspoemulsion comprising polymer particles made of methyl (meth)acrylate and c2-c12 alkyl (meth)acrylate	20140603

PMID	Publication Date	Title	Journal
26785345	20150312	Antioxidant, Biomolecule Oxidation Protective Activities of Nardostachys jatamansi DC and Its Phytochemical Analysis by RP-HPLC and GC-MS	Antioxidants (Basel, Switzerland)
25569083	20150105	Elucidating mechanisms of toxicity using phenotypic data from primary human cell systems--a chemical biology approach for thrombosis-related side effects	International journal of molecular sciences
24242247	20140101	Expression and characterization of CYP52 genes involved in the biosynthesis of sophorolipid and alkane metabolism from Starmerella bombicola	Applied and environmental microbiology
24157926	20131205	Affinities of bispyridinium non-oxime compounds to [(3)H]epibatidine binding sites of Torpedo californica nicotinic acetylcholine receptors depend on linker length	Chemico-biological interactions
23044132	20130102	Long-alkane-chain modified N-phthaloyl chitosan membranes with controlled permeability	Carbohydrate polymers

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.234750957
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.234750957
Rotatable Bond Count:	11
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.8