2-Isopropylcyclohexanol - CAS 96-07-1

Catalog:	BB041941
Product Name:	2-Isopropylcyclohexanol
CAS:	96-07-1
Synonyms:	2-propan-2-yl-1-cyclohexanol; 2-propan-2-ylcyclohexan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	2-propan-2-ylcyclohexan-1-ol
Description:	2-Isopropylcyclohexanol (CAS# 96-07-1) is a useful research chemical.
Molecular Weight:	142.24
Molecular Formula:	C9H18O
Canonical SMILES:	CC(C)C1CCCCC1O
InChI:	InChI=1S/C9H18O/c1-7(2)8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3
InChI Key:	IXVGVVQGNQZQGD-UHFFFAOYSA-N
Boiling Point:	203.1 °C at 760 mmHg
Density:	0.914 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	2.19350

Publication Number	Title	Priority Date
US-2020231594-A1	Tyk2 inhibitors and uses thereof	20190123
US-2020131159-A1	Positive allosteric modulators of the muscarinic acetylcholine receptor m1	20181024
US-2020131201-A1	Tyk2 inhibitors and uses thereof	20181015
WO-2020054742-A1	Polycarbonate resin composition	20180914
CN-110742799-A	Wearable moxibustion tool	20180723

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	98.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.135765193
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.135765193
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6