Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

Base Information

Chemical Name:Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS No.:26171-78-8
Molecular Formula:C18H26 O2
Molecular Weight:274.403
Hs Code.:
European Community (EC) Number:247-498-8
DSSTox Substance ID:DTXSID40885338
Nikkaji Number:J219.556I
Wikidata:Q65224426
Mol file:26171-78-8.mol

Synonyms:26171-78-8;Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester;1-Menthyl phenylacetate;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetate;(-)-Menthyl phenylacetate;EINECS 247-498-8;Menthol phenylacetate, (1R,3R,4S)-(-)-;(1R - (1a,2b,5a)) - p - menthyl phenylacetate;(1R-(1alpha,2beta,5alpha))-p-Menthyl phenylacetate;[1R-(1alpha,2beta,5alpha)]-p-menthyl phenylacetate;GIFKSWTZIAVRIG-HYVNUMGLSA-;DTXSID40885338;Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1R-(1-alpha,2-beta,5-alpha))-;Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1R-(1alpha,2beta,5alpha))-;Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1theta-(1alpha,2beta,5alpha))-;Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1.alpha.,2.beta.,5.alpha.)]-;Benzeneacetic acid (1R,3R,4S)-p-menthane-3-yl ester;InChI=1/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3/t14-,16+,17-/m1/s1

Suppliers and Price of Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

Chemical Property:

Refractive Index:1.5510 (estimate)
Boiling Point:377.38°C (rough estimate)
PSA：26.30000
Density:0.9965 (rough estimate)
LogP:4.23310
XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:274.193280068
Heavy Atom Count:20
Complexity:305

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC(C(C1)OC(=O)CC2=CC=CC=C2)C(C)C
Isomeric SMILES:C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC2=CC=CC=C2)C(C)C

Technology Process of Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

There total 7 articles about Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

: 103-82-2
phenylacetic acid

: 2216-51-5
(-)-menthol

: 26171-78-8
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-phenylacetate

Guidance literature:: With glucose-diphenylaminium tosylate-derived carbon solid acid (GDTCSA); In n-heptane; at 80 ℃; for 8h;
DOI:10.1039/c4gc01395f

Reference yield: 90.0%

: 2216-51-5
(-)-menthol

: 536-74-3
phenylacetylene

: 26171-78-8
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-phenylacetate

Guidance literature:: With 4-methylpyridine-1-oxide; chloro(1,5-cyclooctadiene)rhodium(I) dimer; P(p-C₆H₄F)3; In acetonitrile; at 60 ℃; for 48h; Inert atmosphere;
DOI:10.1002/anie.201303669