beta-Vetivone

Base Information Edit

Chemical Name:beta-Vetivone
CAS No.:18444-79-6
Molecular Formula:C15H22 O
Molecular Weight:218.339
Hs Code.:
European Community (EC) Number:881-471-7
UNII:V86K3R7R4P
DSSTox Substance ID:DTXSID70885043
Nikkaji Number:J13.551H
Wikidata:Q27108643
Metabolomics Workbench ID:69299
Mol file:18444-79-6.mol

Synonyms:beta-Vetivone;.beta.-Vetivone;18444-79-6;UNII-V86K3R7R4P;V86K3R7R4P;C09745;Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R,10R)-;AC1L9CRB;Spiro(4.5)dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R,10R)-;SureCN1544899;.BETA.-VETIVONE [MI];SCHEMBL1544899;CHEBI:10448;DTXSID70885043;Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-,(5R-cis)-;(5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one;Q27108643;(5R,6R)-3-isopropylidene-6,10-dimethyl-spiro[4.5]dec-9-en-8-one;2-ISOPROPYLIDENE-6,10-DIMETHYLSPIRO(4.5)DEC-6-EN-.BETA.-ONE;(5R-CIS)-6,10-DIMETHYL-2-(1-METHYLETHYLIDENE)SPIRO(4.5)DEC-6-EN-.BETA.-ONE

Suppliers and Price of beta-Vetivone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
β-Vetivone
10mg
$ 1540.00

TRC
β-Vetivone
2.5mg
$ 430.00

Total 7 raw suppliers

Chemical Property of beta-Vetivone Edit

Chemical Property:

Vapor Pressure:0.000176mmHg at 25°C
Melting Point:44-46°
Refractive Index:nD20 1.5309 (liquid, supercooled); nD45 1.5216
Boiling Point:329.5°Cat760mmHg
Flash Point:146.3°C
PSA：17.07000
Density:0.98g/cm³
LogP:4.04830
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:218.167065321
Heavy Atom Count:16
Complexity:382

Purity/Quality:

99%, ^*data from raw suppliers

β-Vetivone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(=O)C=C(C12CCC(=C(C)C)C2)C
Isomeric SMILES:C[C@@H]1CC(=O)C=C([C@@]12CCC(=C(C)C)C2)C
Uses Of potential interest in the perfume industry. β-Vetivone, is a component of Vetiver essential oil which is a highly esteemed basic ingredient of modern perfumery, hvaing a woody, earthy scent.

Technology Process of beta-Vetivone

There total 16 articles about beta-Vetivone 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: 82.0%

: 220094-82-6
C₂₃H₃₃NO₂S

: 18444-79-6
(-)-β-vetivone

Guidance literature:: In toluene; for 16h; Heating;
DOI:10.1002/(SICI)1522-2675(19981216)81:12<2292::AID-HLCA2292>3.0.CO;2-K

Reference yield: 60.0%

: 50628-17-6,50763-69-4,117773-65-6
(5R,10R)-(-)-10-methyl-6-methylene-2-(1-methylethenyl)spiro<4.5>decan-8-ol

: 18444-79-6
(-)-β-vetivone

Guidance literature:: With pyridine; chromium(VI) oxide; In dichloromethane; for 0.5h; Ambient temperature;
DOI:10.1021/jo00261a008

Reference yield:

: 85221-99-4
2-methyl-3-(bromomethyl)-5-bromo-2-pentene

: 18444-79-6
(-)-β-vetivone

Guidance literature:: Multi-step reaction with 4 steps

1: 38 percent / 1,3-dimethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one / tetrahydrofuran

2: 61 percent

3: 50 percent / BuLi / tetrahydrofuran; hexane / 4 h / -78 - -20 °C

4: 82 percent / toluene / 16 h / Heating

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; In tetrahydrofuran; hexane; toluene;
DOI:10.1002/(SICI)1522-2675(19981216)81:12<2292::AID-HLCA2292>3.0.CO;2-K