Octyl nicotinate

Base Information

Chemical Name:Octyl nicotinate
CAS No.:70136-02-6
Molecular Formula:C14H21NO2
Molecular Weight:235.322
Hs Code.:
NSC Number:75485
DSSTox Substance ID:DTXSID10220414
Nikkaji Number:J137.024C
Wikidata:Q83097631
Mol file:70136-02-6.mol

Synonyms:octyl nicotinate

Suppliers and Price of Octyl nicotinate

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
n-Octyl Nicotinate
500mg
$ 130.00

TCI Chemical
n-Octyl Nicotinate >98.0%(GC)
5g
$ 145.00

Crysdot
Octylnicotinate 95+%
10g
$ 296.00

Chemenu
Octylnicotinate 95%
10g
$ 280.00

Total 10 raw suppliers

Chemical Property of Octyl nicotinate

Chemical Property:

Vapor Pressure:0.000304mmHg at 25°C
Refractive Index:1.4860-1.4900
Boiling Point:321.1°Cat760mmHg
Flash Point:148°C
PSA：39.19000
Density:0.996g/cm³
LogP:3.59890
Water Solubility.:10mg/L(32 oC)
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:235.157228913
Heavy Atom Count:17
Complexity:206

Purity/Quality:

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

n-Octyl Nicotinate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCOC(=O)C1=CN=CC=C1

Technology Process of Octyl nicotinate

There total 8 articles about Octyl nicotinate 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: 89.0%

: 111-83-1
1-bromo-octane

: 16518-17-5
potassium nicotinate

: 70136-02-6
octyl nicotinate

Guidance literature:: With Aliquat 336; at 60 ℃; for 24h;

Reference yield: 87.0%

: 111-87-5
octanol

: 114-33-0
N-Methylnicotinamide

: 70136-02-6
octyl nicotinate

Guidance literature:: With cerium(IV) oxide; at 175 ℃; Inert atmosphere; Sealed tube;
DOI:10.1002/cctc.201801098

Reference yield:

: 614-18-6
3-pyridinecarboxylic acid ethyl ester

: 111-87-5
octanol

: 70136-02-6
octyl nicotinate

Guidance literature:: With 4 A molecular sieve; Mucor miehei lipase; In di-isopropyl ether; at 60 ℃; for 240h;
DOI:10.1016/S0040-4020(01)81352-1