4-(trans-4-Pentylcyclohexyl)phenol - CAS 82575-69-7

Catalog:	BB053702
Product Name:	4-(trans-4-Pentylcyclohexyl)phenol
CAS:	82575-69-7
Synonyms:	4-(Trans-4-N-Pentylcyclohexyl)Phenol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(4-pentylcyclohexyl)phenol
Molecular Weight:	246.39
Molecular Formula:	C17H26O
Canonical SMILES:	CCCCCC1CCC(CC1)C2=CC=C(C=C2)O
InChI:	InChI=1S/C17H26O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15,18H,2-9H2,1H3/t14-,15-
InChI Key:	QRAZRBGYBYIGRL-SHTZXODSSA-N
Boiling Point:	369.5±21.0 °C at 760 mmHg
Purity:	>98% by GC
Density:	1.0±0.1 g/cm3
Appearance:	White Powder

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Related Functional Groups

Cyclohexane

[16350-96-2]
N-Benzylcyclohexylamine hydrochloride
[1820583-20-7]
methyl (1R,3S)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate
[191284-51-2]
1,1-Bicyclohexyl, 4-(methoxymethylene)-4-propyl-, trans-
[65355-33-1]
trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid
[285-69-8]
3,6-Dioxabicyclo[3.1.0]hexane
[192373-08-3]
N-butyl-1,4-dioxaspiro[4.5]decan-8-amine

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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N,N,N',N'-Tetramethyl-1,5-pentanediamine
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Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
[3735-92-0]
Methyl dimethyldithiocarbamate

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P272, P273, P280, P302+P352, P321, P333+P313, P362+P364, and P501
Signal Word:	Warning

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.198365449
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	246.198365449
Rotatable Bond Count:	5
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.5