alpha-Santalyl acetate

Base Information

• Chemical Name: alpha-Santalyl acetate
• CAS No.: 41414-75-9
• Deprecated CAS: 77-87-2
• Molecular Formula: C₁₇H₂₆O₂
• Molecular Weight: 262.392
• UNII: X7GK783K17
• DSSTox Substance ID: DTXSID001315931
• Wikidata: Q27293640
• Mol file: 41414-75-9.mol

Synonyms:alpha-Santalol acetate;alpha-Santalyl acetate;41414-75-9;(Z)-alpha-Santalol acetate;UNII-X7GK783K17;X7GK783K17;(+)-alpha-Santalyl acetate;2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-, acetate, stereoisomer;.alpha.-Santalol acetate;CHEBI:177267;DTXSID001315931;SANTALOL ACETATE, .ALPHA.-;SANTALYL ACETATE, .ALPHA.-;(+)-.ALPHA.-SANTALYL ACETATE;FEMA NO. 3007, .ALPHA.-;Q27293640;2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-, acetate;[(Z)-5-[(1R,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enyl] acetate;2-PENTEN-1-OL, 5-((1R,3R,4S)-1,2-DIMETHYL-1-CYCLOHEXYL)-2-METHYL-, 1-ACETATE, (2Z)-

Chemical Property of alpha-Santalyl acetate

Chemical Property:

• Vapor Pressure: 0.000233mmHg at 25°C
• Boiling Point: 325.2°C at 760 mmHg
• Flash Point: 106.2°C
• Density: 1.037g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 262.193280068
• Heavy Atom Count: 19
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC1(C2CC3C1(C3C2)C)C)COC(=O)C
• Isomeric SMILES: C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/COC(=O)C

Technology Process of alpha-Santalyl acetate

There total 3 articles about alpha-Santalyl acetate 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:

→ 1-acetoxy-2-methyl-5-((R)-2,3-dimethyl-tricyclo[2.2.1.02,6]heptyl-(3))-pentene-(2t) (41414-75-9,98718-49-1,98718-50-4)

Guidance literature:

at 200 ℃;

Reference yield:

(+)-α-santalol (115-71-9,14490-17-6,19903-72-1,29484-33-1,73307-63-8,95975-80-7,98718-51-5,98718-52-6) → (+)-α-santalyl-acetate (41414-75-9,98718-49-1,98718-50-4)

Guidance literature:

acetylation;

DOI:10.1016/S0040-4039(00)93161-7

Reference yield:

(Ξ)-1-acetoxy-2-methyl-5-((R)-2.3-dimethyl-2.6-cyclo-norbornyl-(3))-pentanol-(2) (19388-56-8) → 1-acetoxy-2-methyl-5-((R)-2,3-dimethyl-tricyclo[2.2.1.02,6]heptyl-(3))-pentene-(2t) (41414-75-9,98718-49-1,98718-50-4)

Guidance literature:

at 200 ℃;

upstream raw materials:

(Ξ)-1-acetoxy-2-methyl-5-((R)-2.3-dimethyl-2.6-cyclo-norbornyl-(3))-pentanol-(2)

(+)-α-santalol

Downstream raw materials:

(-)-(Z)-β-santalol

(+)-epi-β-santalol

(+)-epi-β-santalyl-acetate

(-)-β-santalyl-acetate