CAS 2623-23-6 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)- | CAS Number 2623-23-6

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2623-23-6 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-

CAS No: 2623-23-6 Catalog No: AG002SDO MDL No:MFCD00001482

Product Description

Catalog Number:

AG002SDO

Chemical Name:

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-

CAS Number:

2623-23-6

Molecular Formula:

C12H22O2

Molecular Weight:

198.3019

MDL Number:

MFCD00001482

IUPAC Name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate

InChI:

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1

InChI Key:

XHXUANMFYXWVNG-ADEWGFFLSA-N

SMILES:

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C

UNII:

W8C5F4H1OA

Properties

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.306g/mol

Monoisotopic Mass:

198.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

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Peppermint oil decreases the production of virulence-associated exoproteins by Staphylococcus aureus.	Molecules (Basel, Switzerland) 20110215
Potential of Complementary and Alternative Medicine in Preventive Management of Novel H1N1 Flu (Swine Flu) Pandemic: Thwarting Potential Disasters in the Bud.	Evidence-based complementary and alternative medicine : eCAM 20110101
Development of quality assessment method for optically active food flavor chemicals.	Journal of AOAC International 20110101
Biotransformation of menthol and geraniol by hairy root cultures of Anethum graveolens: effect on growth and volatile components.	Biotechnology letters 20090601
Fumigant insecticidal activity and repellent effect of five essential oils and seven monoterpenes on first-instar nymphs of Rhodnius prolixus.	Journal of medical entomology 20090501
Chemical composition of essential oils of Thymus and Mentha species and their antifungal activities.	Molecules (Basel, Switzerland) 20090107
Insecticidal activity of menthol derivatives against mosquitoes.	Pest management science 20080301
Lithium amide assisted asymmetric Mannich-type reactions of menthyl acetate with PMP-aldimines.	Organic letters 20040527
Lytic activity of l-menthol derivatives against the snow blight disease fungus, Micronectriella nivalis.	Journal of agricultural and food chemistry 20030326
Esterases from Bacillus subtilis and B. stearothermophilus share high sequence homology but differ substantially in their properties.	Applied microbiology and biotechnology 20021101
Evaluation of peppermint oil and ascorbyl palmitate as inhibitors of cytochrome P4503A4 activity in vitro and in vivo.	Clinical pharmacology and therapeutics 20020901
Ambulation-promoting effect of peppermint oil and identification of its active constituents.	Pharmacology, biochemistry, and behavior 20010101