alpha-PINENE

Base Information

• Chemical Name: alpha-PINENE
• CAS No.: 2437-95-8
• Deprecated CAS: 102640-64-2,103657-08-5,39388-04-0,39423-40-0,50815-61-7,53569-35-0,56833-58-0,57762-87-5,72510-05-5,459844-87-2,127831-37-2
• Molecular Formula: C₁₀H₁₆
• Molecular Weight: 136.237
• Hs Code.: 2902191000
• European Community (EC) Number: 201-291-9,267-032-7,219-445-9,607-804-6
• NSC Number: 94523,94522,7727
• UN Number: 2368
• DSSTox Substance ID: DTXSID4026501
• Nikkaji Number: J3.210G
• Wikipedia: Alpha-Pinene
• Wikidata: Q27104380
• RXCUI: 2362183
• Metabolomics Workbench ID: 134074
• ChEMBL ID: CHEMBL442565
• Mol file: 2437-95-8.mol

Synonyms:2-pinene;alpha-pinene;alpha-pinene, pinene;Wilt Pruf

Chemical Property of alpha-PINENE

Chemical Property:

• Appearance/Colour: liquid with a turpentine odour
• Vapor Pressure: 3.49mmHg at 25°C
• Melting Point: -55oC
• Refractive Index: n20/D 1.465(lit.)
• Boiling Point: 157.9oC at 760 mmHg
• Flash Point: 32.2oC
• PSA: 0.00000
• Density: 0.879g/cm3
• LogP: 2.99870
• Water Solubility.: insoluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 186
• Transport DOT Label: Flammable Liquid

Purity/Quality:

95%min , ^*data from raw suppliers

α-Pinene primary reference standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.; R51/53:; R65:
• Hazard Codes: Xi,N
• Statements: 10-36/37/38-43-50
• Safety Statements: 26-36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Biological Agents -> Terpenes
• Canonical SMILES: CC1=CCC2CC1C2(C)C
• Recent ClinicalTrials: Behavioral Pharmacology of THC and Alpha-pinene

Technology Process of alpha-PINENE

There total 1 articles about alpha-PINENE 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:

→ R-(+)-α-pinene (80-56-8,2437-95-8,7785-26-4,7785-70-8,25766-18-1)

Guidance literature:

cis-2-Pinanyl-p-nitrobenzoat, Solvolyse;

DOI:10.1039/j29710001249

Reference yield:

1-(R)-(+)-α-pinene (80-56-8,2437-95-8,7785-26-4,7785-70-8,25766-18-1) → (+/-)-trans-carveol (1197-07-5,22567-18-6,20307-86-2)

Guidance literature:

Multi-step reaction with 2 steps

1: cupric acetate, cuprous chloride / acetonitrile / 24 h / 65 - 70 °C

2: NaOCH₃ / methanol / 1 h / Ambient temperature

With sodium methylate; copper diacetate; copper(l) chloride; In methanol; acetonitrile;

DOI:10.1021/ja00157a061

Reference yield:

1-(R)-(+)-α-pinene (80-56-8,2437-95-8,7785-26-4,7785-70-8,25766-18-1) + dibenzoyl peroxide (94-36-0) → trans-carveol benzoate (73524-01-3,93602-75-6,93602-76-7,119905-76-9,121156-22-7)

Guidance literature:

With copper diacetate; copper(l) chloride; In acetonitrile; at 65 - 70 ℃; for 24h;

DOI:10.1021/ja00157a061

Downstream raw materials:

trans-carveol benzoate

(+/-)-trans-carveol