1-Adamantaneethanol - CAS 6240-11-5

Name: 1-Adamantaneethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-(1-adamantyl)ethanol
Description:	1-Adamantaneethanol (CAS# 6240-11-5) is a useful synthetic intermediate. It was used in the synthesis of 4-(adamant-1-ylethylenoxycarbonyl)phthalanhydride, poly(2-methoxy-5-cyclohexylmethyloxy-p-phenylene vinylene) and adamantine-containing phthalocyanines.
Molecular Weight:	180.29
Molecular Formula:	C12H20O
Canonical SMILES:	C1C2CC3CC1CC(C2)(C3)CCO
InChI:	InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2
InChI Key:	ZBIDZPHRNBZTLT-UHFFFAOYSA-N
Boiling Point:	275.1 °C at 760 mmHg
Purity:	> 98.0 % (GC)
Density:	1.065 g/cm³
Appearance:	White or cream solid
MDL:	MFCD00074756
LogP:	2.58520

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021115503-A1	Lipophosphonoxins, their preparation and use	20191212
CN-112859516-A	Material for forming organic film, method for forming pattern, and polymer	20191128
EP-3828630-A1	Material for forming organic film, patterning process, and polymer	20191128
JP-2021084974-A	Organic film forming materials, pattern forming methods, and polymers	20191128
KR-20210066740-A	Material for forming organic film, patterning process, and polymer	20191128

PMID	Publication Date	Title	Journal
22365412	20120401	Synthesis and photodynamic properties of adamantylethoxy Zn(II) phthalocyanine derivatives in different media and in human red blood cells	European journal of medicinal chemistry
20109023	20100201	Enhancing tumor vaccines: catalyzing MHC class II peptide exchange	Expert review of vaccines
19738910	20090907	Enhancement of tumour-specific immune responses in vivo by 'MHC loading-enhancer' (MLE)	PloS one

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.151415257
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.151415257
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4