Terpinyl formate

Base Information

• Chemical Name: Terpinyl formate
• CAS No.: 2153-26-6
• Deprecated CAS: 1334-83-4,84992-51-8
• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.263
• Hs Code.: 2915120000
• European Community (EC) Number: 218-444-0
• UNII: GTJ0954O31
• DSSTox Substance ID: DTXSID20862849
• Nikkaji Number: J183.097J
• Wikidata: Q27279272
• Metabolomics Workbench ID: 45233
• ChEMBL ID: CHEMBL4162810
• Mol file: 2153-26-6.mol

Synonyms:Terpinyl formate;2153-26-6;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate;alpha-Terpineol formate;p-1-Menthen-8-yl formate;P-Menth-1-en-8-yl formate;FEMA No. 3052;P-Menth-1-en-8-ol, formate;alpha-Terpinyl formate;p-menth-1-en-8-yl-formate;GTJ0954O31;EINECS 218-444-0;alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl formate;3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, formate;a-Terpineol formate;alpha Terpinyl formate;SCHEMBL561372;UNII-GTJ0954O31;TERPINYL FORMATE [FHFI];.ALPHA.-TERPINYL FORMATE;CHEMBL4162810;FEMA 3052;DTXSID20862849;CHEBI:168454;TERPENOL FORMATE, (+/-)-;LS-3110;.ALPHA.-TERPINYL FORMATE, (+/-)-;FT-0634075;2-(4-methylcyclohex-3-enyl)propan-2-yl formate;P-MENTH-1-EN-8-OL, FORMATE, (+/-)-;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl ormate;Q27279272;1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl formate #;3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-formate;3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-formate;3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, formate;3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, 1-;3-CYCLOHEXENE-1-METHANOL, ,ALPHA.,.ALPHA.,4-TRIMETHYL-, 1-FORMATE, (+/-)-

Chemical Property of Terpinyl formate

Chemical Property:

• Vapor Pressure: 0.0469mmHg at 25°C
• Refractive Index: n20/D 1.471(lit.)
• Boiling Point: 236.6°Cat760mmHg
• Flash Point: 94.7°C
• PSA: 26.30000
• Density: 0.971g/cm³
• LogP: 3.32030
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99%, ^*data from raw suppliers

TERPINYL FORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Terpinyl formate

There total 8 articles about Terpinyl formate 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: 95.0%

formic acid (64-18-6) + α-terpinyl chloride (39864-10-3) → 2-(4-methylcyclohex-3-enyl)propan-2-yl formate (2153-26-6)

Guidance literature:

With zinc(II) oxide; at 15 ℃; for 2h;

DOI:10.1016/0040-4020(82)80261-5

Reference yield: 90.0%

formic acid (64-18-6) + terpineol (98-55-5,2438-12-2) → 2-(4-methylcyclohex-3-enyl)propan-2-yl formate (2153-26-6)

Guidance literature:

With p-toluenesulfonyl chloride; at 20 ℃; for 0.916667h; neat (no solvent);

DOI:10.1016/j.cclet.2010.05.025

Reference yield: 15.5%

formic anhydride (1558-67-4) + terpineol (98-55-5,2438-12-2) → 2-(4-methylcyclohex-3-enyl)propan-2-yl formate (2153-26-6)

Guidance literature:

With p-toluenesulfonyl chloride; at 20 ℃; for 1.5h;

DOI:10.1016/j.ejmech.2017.07.068

upstream raw materials:

formic acid

α-terpinyl chloride

formyl acetic anhydride

limonene.

Downstream raw materials:

trans-sobrerol

Refernces

• 1、 -. "Α- [...] enol derivative and its preparation method and application". Paragraph 0033; 0034. . Retrieved 2017/05/03.
• 2、 Khazaei, Ardeshir,Rostami, Amin,Mantashlo, Fatemeh. "P-Toluenesulfonyl chloride as a new and effective catalyst for acetylation and formylation of hydroxyl compounds under mild conditions". experimental part. p. 1430 - 1434. Retrieved 2011/10/08.