Heptyl formate

Base Information

Chemical Name:Heptyl formate
CAS No.:112-23-2
Molecular Formula:C8H16 O2
Molecular Weight:144.214
Hs Code.:2915120000
European Community (EC) Number:203-949-0
UNII:PU6O623G48
DSSTox Substance ID:DTXSID9059416
Nikkaji Number:J34.717E
Wikidata:Q3077500
Metabolomics Workbench ID:46561
ChEMBL ID:CHEMBL2270392
Mol file:112-23-2.mol

Synonyms:heptyl formate

Suppliers and Price of Heptyl formate

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

American Custom Chemicals Corporation
HEPTYL FORMATE 95.00%
4KG
$ 7091.70

American Custom Chemicals Corporation
HEPTYL FORMATE 95.00%
1KG
$ 6964.83

Total 16 raw suppliers

Chemical Property of Heptyl formate

Chemical Property:

Vapor Pressure:1mmHg at 25°C
Melting Point:-46.4°C
Refractive Index:n20/D 1.413(lit.)
Boiling Point:178.2°Cat760mmHg
Flash Point:60°C
PSA：26.30000
Density:0.877g/cm³
LogP:2.76570
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:144.115029749
Heavy Atom Count:10
Complexity:71.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

HEPTYL FORMATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/38-41
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCOC=O
Description Heptyl formate has a fruity-floral odor with an orris-rose undertone and a sweet taste reminiscent of plum. May be synthesized from n-heptyl bromide and formamide at the boil.
Uses Heptyl Formate is a synthetic flavoring agent that is a moderately stable, colorless to light yellow liquid of fruity odor. it should be stored in glass or tin containers. it is used in fruit flavors such as apricot, pear, and plum with applications in beverages, ice cream, candy, and baked goods at 1–4 ppm.

Technology Process of Heptyl formate

There total 10 articles about Heptyl formate 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: 99.0%

: 64-18-6
formic acid

: 111-70-6
n-heptan1ol

: 112-23-2
n-heptyl formate

Guidance literature:: With iodine; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.orglett.6b03233

Reference yield: 97.0%

: 111-70-6
n-heptan1ol

: 109-94-4
formic acid ethyl ester

: 112-23-2
n-heptyl formate

Guidance literature:: With bismuth(lll) trifluoromethanesulfonate; for 0.333333h; Heating;

Reference yield: 89.0%

: 124-13-0
Octanal

: 112-23-2
n-heptyl formate

Guidance literature:: With water; difluoro[4-(trifluoromethyl)phenyl]-λ³-bromane; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;
DOI:10.1021/ja104330g