Alpha-terpinyl isovalerate

Base Information

• Chemical Name: Alpha-terpinyl isovalerate
• CAS No.: 1142-85-4
• Molecular Formula: C15H26 O2
• Molecular Weight: 238.37
• European Community (EC) Number: 601-304-1
• UNII: 41N48S2I2I
• DSSTox Substance ID: DTXSID60921303
• Nikkaji Number: J149.357D
• Wikidata: Q27258454
• Metabolomics Workbench ID: 48958
• Mol file: 1142-85-4.mol

Synonyms:Alpha-terpinyl isovalerate;Terpinyl isovalerate;1142-85-4;Terpinyl iso-valerate;Terpinyl isopentanoate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate;Terpinyl isovalerianate;Isovaleric acid, p-menth-1-en-8-yl ester;Terpenyl isovalerate;FEMA No. 3054;P-Menth-1-en-8-yl isovalerate;P-Menth-1-en-8-yl isopentanoate;P-Menth-1-en-8-yl 3-methylbutyrate;P-Menth-1-en-8-yl 3-methylbutanoate;P-Menth-1-en-8-yl beta-methylbutyrate;.alpha.-Terpinyl isovalerate;.alpha.-Terpinyl isopentanoate;UNII-41N48S2I2I;41N48S2I2I;Butanoic acid, 3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester;n-Terpinenyl ester of isopentanoic acid;1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 3-methylbutanoate;alpha -terpenyl isovalerate;alpha -terpinyl isopentanoate;SCHEMBL3503692;DTXSID60921303;TERPINYL ISOVALERATE [FHFI];Q27258454;2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate;1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 3-methylbutanoate #

Chemical Property of Alpha-terpinyl isovalerate

Chemical Property:

• Vapor Pressure: 0.00208mmHg at 25°C
• Boiling Point: 290.4°C at 760 mmHg
• Flash Point: 87.7°C
• PSA: 46.53000
• Density: 0.938g/cm³
• LogP: 3.29550
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98%,99%, ^*data from raw suppliers

TERPINYL ISOVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(CC1)C(C)(C)OC(=O)CC(C)C