Pinocarvyl acetate, trans-

Base Information

• Chemical Name: Pinocarvyl acetate, trans-
• CAS No.: 33045-02-2
• Molecular Formula: C9H12 O S
• Molecular Weight: 194.274
• European Community (EC) Number: 251-357-6
• UNII: 280CW09T1L,3ZVF5VC3C3
• DSSTox Substance ID: DTXSID501142175
• Nikkaji Number: J195.699J
• Mol file: 33045-02-2.mol

Synonyms:Pinocarvyl acetate, trans-;Fema No. 4807, trans-;280CW09T1L;2(10)-Pinen-3-ol, acetate, trans-;UNII-280CW09T1L;Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, 3-acetate, (1R,3S,5R)-rel-;1686-15-3;33045-02-2;3ZVF5VC3C3;Pinocarvyl acetate, trans-(+)-;cis-Pinocarveol, acetate;Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, 3-acetate, (1R,3S,5R)-;Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, 3-acetate, (1R,3S,5R)-;DTXSID501142175;BICYCLO(3.1.1)HEPTAN-3-OL, 6,6-DIMETHYL-2-METHYLENE-, ACETATE, (1R-(1.ALPHA.,3.ALPHA.,5.ALPHA.))-;(+)-TRANS-PINOCARVOL ACETATE;(+)-TRANS-PINOCARVYL ACETATE;FEMA NO. 4807, TRANS-(+)-;2(10)-PINEN-3-OL, ACETATE, (1R,3S,5R)-;Acetic acid [[1R,3S,5R,(+)]-pin-2(10)-en-3-yl] ester

Chemical Property of Pinocarvyl acetate, trans-

Chemical Property:

• Vapor Pressure: 0.058mmHg at 25°C
• Boiling Point: 232.8°Cat760mmHg
• Flash Point: 85.7°C
• PSA: 26.30000
• Density: 1.02g/cm³
• LogP: 2.54030
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2CC(C1=C)C2(C)C
• Isomeric SMILES: CC(=O)O[C@H]1C[C@H]2C[C@@H](C1=C)C2(C)C

Technology Process of Pinocarvyl acetate, trans-

There total 4 articles about Pinocarvyl acetate, trans- 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: 64.0%

beta-pinene (18172-67-3,19902-08-0,25719-60-2) + acetic acid (64-19-7,77671-22-8) → trans-pinocarvyl acetate (33045-02-2)

Guidance literature:

With tert.-butylhydroperoxide; In water; acetonitrile; at 82 ℃; for 24h;

DOI:10.1021/ol500198c

Reference yield:

beta-pinene (18172-67-3,19902-08-0,25719-60-2) → trans-pinocarvyl acetate (33045-02-2)

Guidance literature:

With selenium(IV) oxide; acetic anhydride; acetic acid;

DOI:10.1021/ja01260a016

Reference yield:

6,6-dimethyl-2-methylene-bicyclo[3.1.1]heptan-3-ol (19894-98-5) + acetic anhydride (108-24-7) → trans-pinocarvyl acetate (33045-02-2)

Guidance literature:

With sodium acetate;

DOI:10.1021/ja01260a016

upstream raw materials:

beta-pinene

6,6-dimethyl-2-methylene-bicyclo[3.1.1]heptan-3-ol

acetic anhydride

lead(IV) tetraacetate

Downstream raw materials:

(+)-isopinocampheyl acetate

(+)-acetic acid p-mentha-1,8-dien-7-yl ester

(R)-Δ^1(7).5.8.-o-Menthatrien

Acetic acid (S)-4-methyl-1-(1-methylene-allyl)-pent-3-enyl ester