2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-

Base Information

Chemical Name:2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-
CAS No.:28940-11-6
Deprecated CAS:35783-05-2
Molecular Formula:C10H10O3
Molecular Weight:178.188
Hs Code.:2932999099
European Community (EC) Number:249-320-4
UNII:0NQ136C313
DSSTox Substance ID:DTXSID0047165
Nikkaji Number:J286.485A
Wikipedia:Calone
Wikidata:Q2934355
RXCUI:2047870
ChEMBL ID:CHEMBL3187905
Mol file:28940-11-6.mol

Synonyms:calone

Suppliers and Price of 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-

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
7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
100g
$ 525.00

TCI Chemical
7-Methyl-1,5-benzodioxepan-3-one >98.0%(GC)
5g
$ 38.00

TCI Chemical
7-Methyl-1,5-benzodioxepan-3-one >98.0%(GC)
25g
$ 141.00

SynQuest Laboratories
7-Methyl-1,5-benzodioxepin-3-one 95%
25 g
$ 992.00

SynQuest Laboratories
7-Methyl-1,5-benzodioxepin-3-one 95%
5 g
$ 328.00

Sigma-Aldrich
7-Methyl-2H-1,5-benzodioxepin-3(4H)-one analytical standard
100mg
$ 59.10

Medical Isotopes, Inc.
7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
25 g
$ 750.00

Medical Isotopes, Inc.
7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
5 g
$ 610.00

Medical Isotopes, Inc.
7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
100 g
$ 975.00

Crysdot
7-Methyl-2H-benzo[b][1,4]dioxepin-3(4H)-one 97%
100mg
$ 49.00

Total 128 raw suppliers

Chemical Property of 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-

Chemical Property:

Appearance/Colour:white crystalline powder
Vapor Pressure:0.000831mmHg at 25°C
Melting Point:37.0 to 41.0 °C
Refractive Index:1.538
Boiling Point:305.2 °C at 760 mmHg
Flash Point:129.3 °C
PSA：35.53000
Density:1.196 g/cm³
LogP:1.33530
Storage Temp.:2-8°C
Water Solubility.:13.7g/L at 20℃
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:178.062994177
Heavy Atom Count:13
Complexity:202

Purity/Quality:

99% ^*data from raw suppliers

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)OCC(=O)CO2
Uses 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one has shown gender-specific reduction in overall olfactory impact of stress-related odor by cross adaptation in human apocrine secretion.
Description Watermelon Ketone, also known as calone or methylbenodioxepinone is a hydrocarbon compound with similar structure of certain alicyclic C11-hydrocarbons such as ectocarpene. It is a flavor and fragrance chemical compound with special odorant. It was used as a scent component since the 1980s for its watery, fresh, ozone accords. It was later supplemented into several perfumes of the marine trend, beginning in the 1990s.

Technology Process of 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-

There total 9 articles about 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl- 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: 95.0%