4-tert-Butylcyclohexanone - CAS 98-53-3

Catalog:	BB042177
Product Name:	4-tert-Butylcyclohexanone
CAS:	98-53-3
Synonyms:	4-tert-butylcyclohexan-1-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-tert-butylcyclohexan-1-one
Description:	4-tert-Butylcyclohexanone (CAS# 98-53-3) is a useful research chemical.
Molecular Weight:	154.25
Molecular Formula:	C10H18O
Canonical SMILES:	CC(C)(C)C1CCC(=O)CC1
InChI:	InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChI Key:	YKFKEYKJGVSEIX-UHFFFAOYSA-N
Boiling Point:	113-116 °C (20 mmHg)
Melting Point:	47-50 °C
Flash Point:	96°C
Purity:	99.5 %
Density:	0.911 g/cm³
Solubility:	water, 239.8 mg/L @ 25 °C (est)
Appearance:	White to almost white crystalline powder
MDL:	MFCD00001642
LogP:	2.79180
Refractive Index:	1.456

Publication Number	Title	Priority Date
CN-113004341-A	PNO ligand containing chiral ferrocene and axial chiral biphenol and application thereof	20210308
KR-102242940-B1	Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby	20210119
CN-112574079-A	2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof	20201214
CN-112479984-A	Method for synthesizing enol trifluoromethanesulfonate	20201127
CN-112125878-A	Spiroxamine and synthesis method thereof	20200928

PMID	Publication Date	Title	Journal
22060817	20111222	Stereochemical dependence of 3JCH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives	The journal of physical chemistry. A
21259348	20110211	On the synergistic catalytic properties of bimetallic mesoporous materials containing aluminum and zirconium: the Prins cyclisation of citronellal	Chemistry (Weinheim an der Bergstrasse, Germany)
18950231	20081101	Asymmetric solid-phase alkylation of ketones immobilized via SAMP hydrazone analogue linkers	Journal of combinatorial chemistry
15079849	20040419	Mechanism of homogeneously and heterogeneously catalysed Meerwein-Ponndorf-Verley-Oppenauer reactions for the racemisation of secondary alcohols	Chemistry (Weinheim an der Bergstrasse, Germany)

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

Customers Also Viewed

[883-44-3]
N-(3-Hydroxypropyl)phthalimide
[1984-15-2]
Methylenediphosphonic acid
[52236-30-3]
Metribuzin-desamino-diketo
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
[104517-96-6]
Ioversol related compound B
[14245-62-6]
Isopropyl ethanesulfonate

INDUSTRY LEADERS TRUST OUR PRODUCTS

Phone

US & Canada (Toll free):

UK:

International:

E-mail & Fax

E-mail:

Fax:

Address

USA:

UK:

Our Products

Inquiry Basket

Loading ......

Delete selected Go to checkout

GHS Hazard Statement:	H302 (94.94%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.135765193
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.135765193
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6