2,2,4,4,6,8,8-Heptamethylnonane - CAS 4390-04-9

Catalog:	BB025492
Product Name:	2,2,4,4,6,8,8-Heptamethylnonane
CAS:	4390-04-9
Synonyms:	2,2,4,4,6,8,8-heptamethylnonane

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Computed Properties

IUPAC Name:	2,2,4,4,6,8,8-heptamethylnonane
Description:	2,2,4,4,6,8,8-Heptamethylnonane (CAS# 4390-04-9) is a useful research chemical compound.
Molecular Weight:	226.44
Molecular Formula:	C16H34
Canonical SMILES:	CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
InChI:	InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3
InChI Key:	VCLJODPNBNEBKW-UHFFFAOYSA-N
Boiling Point:	240 °C
Density:	0.79 g/cm³
Appearance:	Colorless liquid
LogP:	5.91120
Vapor Pressure:	1.0 [mmHg]

Publication Number	Title	Priority Date
JP-2021155474-A	Encapsulating resin composition and electronic device	20200325
WO-2021167039-A1	Oil-in-oil emulsion cosmetic composition	20200220
WO-2021167040-A1	Oil-in-oil emulsified cosmetic	20200220
US-2021212910-A1	Malodor Suppression in Hemp Derived Cannabidiol Used in Cosmetic Compositions	20200110
JP-2021105097-A	Detergent composition and cleaning method	20191226

PMID	Publication Date	Title	Journal
21805995	20111130	Ab initio study of key branching reactions in biodiesel and Fischer-Tropsch fuels	Journal of the American Chemical Society
21309023	20110401	Effects of aging and mixed nonaqueous-phase liquid sources in soil systems on earthworm bioaccumulation, microbial degradation, sequestration, and aqueous desorption of pyrene	Environmental toxicology and chemistry
21124915	20101119	Genome sequence of the deltaproteobacterial strain NaphS2 and analysis of differential gene expression during anaerobic growth on naphthalene	PloS one
20726652	20100821	Analysis of the orientational order effect on n-alkanes: Evidences on experimental response functions and description using Monte Carlo molecular simulation	The Journal of chemical physics
18568432	20090201	Biodegradability of 2-ethylhexyl nitrate (2-EHN), a cetane improver of diesel oil	Biodegradation

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GHS Hazard Statement:	H301 (45.57%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P264, P270, P280, P281, P301+P310, P302+P352, P305+P351+P338, P308+P313, P312, P321, P322, P330, P331, P332+P313, P337+P313, P361, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.266051085
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.266051085
Rotatable Bond Count:	6
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	7.3