1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-

Base Information

Chemical Name:1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
CAS No.:6753-98-6
Molecular Formula:C15H24
Molecular Weight:204.356
Hs Code.:2902199090
European Community (EC) Number:229-816-7
DSSTox Substance ID:DTXSID50863940
Wikipedia:Humulene
Wikidata:Q104247137,Q104992358,Q104992329,Q104992355,Q110180182
Mol file:6753-98-6.mol

Synonyms:alpha-caryophyllene;alpha-humulene;humulene

Suppliers and Price of 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-

Supply Marketing:

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
Humulene
1g
$ 305.00

TCI Chemical
alpha-Caryophyllene >93.0%(GC)
1mL
$ 100.00

Sigma-Aldrich
α-Humulene ≥96.0% (GC)
5ml
$ 316.00

Sigma-Aldrich
α-Humulene phyproof? Reference Substance
100 mg
$ 196.00

Sigma-Aldrich
α-Humulene analytical standard
250mg
$ 163.00

Sigma-Aldrich
α-Humulene ≥96.0% (GC)
1ml
$ 99.20

Sigma-Aldrich
alpha-Humulene solution certified reference material, 2000?μg/mL in methanol, ampule of 1?mL
1 mL
$ 96.60

Sigma-Aldrich
alpha-Humulene solution certified reference material, 2000 μg/mL in methanol, ampule of 1 mL
crm40921
$ 93.60

Chem-Impex
α-Humulene,55-65%,Natural,meetsFGspecifications,KosherHazmat 55-65%
5G
$ 27.66

Cayman Chemical
α-Humulene ≥97%
100mg
$ 86.00

Total 57 raw suppliers

Chemical Property of 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-

Chemical Property:

Vapor Pressure:0.00812mmHg at 25°C
Melting Point:<25 °C
Refractive Index:n20/D 1.503(lit.)
Boiling Point:276.3°Cat760mmHg
Flash Point:110.2°C
PSA：0.00000
Density:0.819g/cm³
LogP:5.03540
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:204.187800766
Heavy Atom Count:15
Complexity:287

Purity/Quality:

99%, ^*data from raw suppliers

Humulene ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CCC(C=CCC(=CCC1)C)(C)C
Uses α-Humulene can be used in the formation of secondary organic aerosol by oxidation. α-Humulene has been used as a reference standard for the determination of isomers of α-humulene in copaiba oleoresin species by high performance liquid chromatography method using the Box-Behnken design.

Technology Process of 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-

There total 63 articles about 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- 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: 93.0%

: 69415-65-2
Methanesulfonic acid (4E,8E)-2,2,5,9-tetramethyl-cycloundeca-4,8-dienyl ester

: 6753-98-6
α-caryophyllene

Guidance literature:: With silica gel; In dichloromethane; at 23 ℃; for 6h;
DOI:10.1021/ol026205p

Reference yield: 60.0%

: 83637-43-8
3,3,7-trinethyl-11-oxo-4E,7E-dodecadienal

: 6753-98-6
α-caryophyllene

Guidance literature:: With titanium(III) chloride; copper; zinc; In 1,2-dimethoxyethane; for 18h; Heating;
DOI:10.1016/S0040-4039(00)87441-9

Reference yield: 45.0%

: 372-97-4,13058-04-3,25744-33-6,27248-37-9,27248-38-0,40716-68-5
farnesyl pyrophosphate

: 6753-98-6
α-caryophyllene

: 87-44-5
β-caryophyllene

: 68832-35-9
9‐epi‐(E)‐caryophyllene

: 2-((1S,3aS,7aS,E)-1,6,6-trimethyloctahydro-4H-inden-4-ylidene)propan-1-ol

: 104975-19-1
(+)-isoafricanol

: african-1-ene

: δ^9,10-africanene

Guidance literature:: With sesquiterpene cyclase from Trichoderma spp.; In aq. buffer; at 28 ℃; for 3h; pH=8.2; Enzymatic reaction;
DOI:10.1002/anie.201907964