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MedKoo Cat#: 208544 | Name: Isopulegol hydrate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Isopulegol hydrate is used in the synthesis of (-)-isopulegol hydrate, (-)-cubebaol, and p-tolualdehyde as well as (-)-6-hydroxy-4-methyl-1-cyclohexene-1-methanol acetate, an intermediate in the total synthesis of lycopodium alkaloid magellanine. Other alpha,beta-unsaturated aldehydes give rise to chiral cyclohexadienes via formal [4 + 2] reactions

Chemical Structure

Isopulegol hydrate
Isopulegol hydrate
CAS#3564-98-5

Theoretical Analysis

MedKoo Cat#: 208544

Name: Isopulegol hydrate

CAS#: 3564-98-5

Chemical Formula: C10H20O2

Exact Mass: 172.1463

Molecular Weight: 172.27

Elemental Analysis: C, 69.72; H, 11.70; O, 18.57

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Isopulegol hydrate, EPA Pesticide Chemical Code 011550, Isopulegol hydrate, Menthoglycol
IUPAC/Chemical Name
Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1-alpha,2-beta,4-beta)-
InChi Key
LMXFTMYMHGYJEI-CIUDSAMLSA-N
InChi Code
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
SMILES Code
OC(C)(C)[C@@H]1[C@@H](O)C[C@@H](C)CC1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 172.27 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Hong BC, Wu MF, Tseng HC, Liao JH. Enantioselective organocatalytic formal [3 + 3]-cycloaddition of alpha,beta-unsaturated aldehydes and application to the asymmetric synthesis of (-)-isopulegol hydrate and (-)-cubebaol. Org Lett. 2006 May 25;8(11):2217-20. doi: 10.1021/ol060486+. PMID: 16706490.