DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

FINISHED DOSAGE FORMULATIONS

2 FDF Dossiers, 2 Europe

2 FDF Dossiers
2 Europe

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 16409-46-4, 2-isopropyl-5-methylcyclohexyl 3-methylbutanoate, Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, Menthylisovalerianat, Schembl559926, (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate

Molecular Formula

C₁₅H₂₈O₂

Molecular Weight

240.38 g/mol

InChI Key

VYQSSWZYPCCBRN-UHFFFAOYSA-N

1 2D Structure

Menthyl Isovalerate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate

2.1.2 InChI

InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3

2.1.3 InChI Key

VYQSSWZYPCCBRN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCC(C(C1)OC(=O)CC(C)C)C(C)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 3-p-menthyl Isovalerate

2. Validol

3. Validol, (1alpha,2beta,5alpha)-isomer

4. Validol, (1r-(1alpha,2beta,5alpha))-isomer

2.2.2 Depositor-Supplied Synonyms

1. 16409-46-4

2. 2-isopropyl-5-methylcyclohexyl 3-methylbutanoate

3. Butanoic Acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl Ester

4. Menthylisovalerianat

5. Schembl559926

6. (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate

7. Dtxsid00861678

8. Menthyl Isovalerate, >=98%, Fg

9. 89-47-4

10. Mfcd00045488

11. Ft-0650591

12. 2-isopropyl-5-methylcyclohexyl3-methylbutanoate

13. 2-isopropyl-5-methylcyclohexyl 3-methylbutanoate #

14. Q12831520

15. 3-methylbutanoic Acid 5-methyl-2-(1-methylethyl)cyclohexyl Ester

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₈O₂
Molecular Weight	240.38 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	240.208930132 g/mol
Monoisotopic Mass	240.208930132 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1