CAS 87061-04-9 | 3-((2-Isopropyl-5-methylcyclohexyl);oxy);propane-1,2-diol | CAS Number 87061-04-9

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87061-04-9 | 3-((2-Isopropyl-5-methylcyclohexyl);oxy);propane-1,2-diol

CAS No: 87061-04-9 Catalog No: AG004N9U MDL No:

Product Description

Catalog Number:

AG004N9U

Chemical Name:

3-((2-Isopropyl-5-methylcyclohexyl);oxy);propane-1,2-diol

CAS Number:

87061-04-9

Molecular Formula:

C13H26O3

Molecular Weight:

230.3437

IUPAC Name:

3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol

InChI:

InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3

InChI Key:

MDVYIGJINBYKOM-UHFFFAOYSA-N

SMILES:

OCC(COC1CC(C)CCC1C(C)C)O

EC Number:

289-296-2

FEMA Number:

3784

Properties

Complexity:

194

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.188g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.348g/mol

Monoisotopic Mass:

230.188g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay.	British journal of pharmacology 20040201
Comparison of skin permeation enhancement by 3-l-menthoxypropane-1,2-diol and l-menthol: the permeation of indomethacin and antipyrine through Yucatan micropig skin and changes in infrared spectra and X-ray diffraction patterns of stratum corneum.	International journal of pharmaceutics 20030604