1-Ethynyl-1-cyclohexanol - CAS 78-27-3

Catalog:	BB036146
Product Name:	1-Ethynyl-1-cyclohexanol
CAS:	78-27-3
Synonyms:	1-ethynylcyclohexan-1-ol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-ethynylcyclohexan-1-ol
Description:	1-Ethynyl-1-cyclohexanol (CAS# 78-27-3) is a useful research chemical.
Molecular Weight:	124.18
Molecular Formula:	C8H12O
Canonical SMILES:	C#CC1(CCCCC1)O
InChI:	InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
InChI Key:	QYLFHLNFIHBCPR-UHFFFAOYSA-N
Boiling Point:	180 °C
Melting Point:	30-32 °C
Purity:	99 %
Density:	0.9763 g/cm³
Appearance:	Colorless liquid
Storage:	2-8 °C
MDL:	MFCD00003858
LogP:	1.31480
Vapor Pressure:	0.13 [mmHg]

Publication Number	Title	Priority Date
CN-113372728-A	Silicone resin composition, cured product thereof, and LED element	20210812
CN-113480856-A	Thermal conductive gel containing dangling tail chain and preparation method and application thereof	20210730
CN-113480855-A	Silicon rubber and preparation method thereof	20210726
CN-113501961-A	Tackifier, self-adhesive two-component addition type organic silicon pouring sealant prepared from tackifier and preparation method of self-adhesive two-component addition type organic silicon pouring sealant	20210726
CN-113512890-A	Silicone rubber leather material for outdoor furniture and preparation method thereof	20210726

PMID	Publication Date	Title	Journal
21120028	20101001	Physicochemical evaluation and essential oil composition analysis of Hyssopus cuspidatus Boriss from Xinjiang, China	Pharmacognosy magazine
20704268	20100908	Luminescent Au(I)/Cu(I) alkynyl clusters with an ethynyl steroid and related aliphatic ligands: an octanuclear Au4Cu4 cluster and luminescence polymorphism in Au3Cu2 clusters	Journal of the American Chemical Society
21578712	20091104	1-(3-p-Tolyl-isoxazol-5-yl)cyclo-hexa-nol	Acta crystallographica. Section E, Structure reports online
17300931	20070401	Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations	Bioorganic & medicinal chemistry letters
15909039	20050607	Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.088815002
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	124.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7