Neryl acetate

Base Information Edit

Chemical Name:Neryl acetate
CAS No.:141-12-8
Deprecated CAS:130396-85-9
Molecular Formula:C12H20O2
Molecular Weight:196.29
Hs Code.:29153900
European Community (EC) Number:205-459-2
NSC Number:72031
UNII:OF82IJU18H
DSSTox Substance ID:DTXSID2047068
Nikkaji Number:J102.179F
Wikipedia:Neryl_acetate
Wikidata:Q1368877
RXCUI:2395766
Metabolomics Workbench ID:3839
ChEMBL ID:CHEMBL2268549
Mol file:141-12-8.mol

Synonyms:geraniol acetate;geraniol acetate, (E)-isomer;geraniol acetate, (Z)-isomer;geranyl acetate;nerol acetate;neryl acetate

Suppliers and Price of Neryl acetate

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

TCI Chemical
Neryl Acetate >95.0%(GC)
25mL
$ 36.00

Sigma-Aldrich
Neryl Acetate ≥98%, FCC, FG
9 kg
$ 1240.00

Sigma-Aldrich
Neryl Acetate ≥98%, FCC, FG
9kg-k
$ 1240.00

Sigma-Aldrich
Neryl Acetate ≥98%, FCC, FG
4 kg
$ 881.00

Sigma-Aldrich
Neryl Acetate ≥98%, FCC, FG
4kg-k
$ 881.00

Sigma-Aldrich
Neryl Acetate natural, 90%
1 kg
$ 575.00

Sigma-Aldrich
Neryl Acetate natural, 90%
1kg-k
$ 575.00

Sigma-Aldrich
Neryl Acetate ≥98%, FCC, FG
1kg-k
$ 575.00

Sigma-Aldrich
Neryl Acetate natural, 90%
500 g
$ 420.00

Sigma-Aldrich
Neryl Acetate natural, 90%
500g-k
$ 420.00

Total 69 raw suppliers

Chemical Property of Neryl acetate Edit

Chemical Property:

Appearance/Colour:Clear colourless to slightly yellowish liquid
Vapor Pressure:9.07E-05mmHg at 25°C
Melting Point:<25 °C
Refractive Index:n20/D 1.460(lit.)
Boiling Point:247.506 °C at 760 mmHg
Flash Point:98.889 °C
PSA：26.30000
Density:0.905 g/cm³
LogP:3.24220
Storage Temp.:2-8°C
Water Solubility.:34.51-773.28mg/L at 20℃
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:196.146329876
Heavy Atom Count:14
Complexity:233

Purity/Quality:

98% ^*data from raw suppliers

Neryl Acetate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 23-24/25-37/39-36-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCOC(=O)C)C)C
Isomeric SMILES:CC(=CCC/C(=C\COC(=O)C)/C)C
Description Neryl acetate has a very sweet, floral, orange-blossom and roselike odor. It is initially fresh and pungent, and then a honey-like flavor with a raspberry undertone. Neryl acetate may be prepared by esterification of nerol with acetic acid; also prepared from myrcene by hydrobromination and esterification.

Technology Process of Neryl acetate

There total 34 articles about Neryl acetate 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: 100.0%

: 106-25-2
Nerol

: 108-24-7
acetic anhydride

: 141-12-8,8022-83-1
neryl acetate

Guidance literature:: With pyridine; dmap;
DOI:10.1039/b303706a

Reference yield: 100.0%

: 106-25-2
Nerol

: 75-36-5
acetyl chloride

: 141-12-8,8022-83-1
neryl acetate

Guidance literature:: With pyridine; In dichloromethane; for 0.666667h;
DOI:10.1016/0040-4020(96)00453-X

Reference yield: 99.9%

: 106-25-2
Nerol

: 64-19-7,77671-22-8
acetic acid

: 141-12-8,8022-83-1
neryl acetate

Guidance literature:: With Candida antarctica lipase B; at 50 ℃; for 4h; Molecular sieve; Ionic liquid; Green chemistry; Enzymatic reaction;
DOI:10.1039/c2gc36081k