Neryl isovalerate

Base Information Edit

Chemical Name:Neryl isovalerate
CAS No.:3915-83-1
Molecular Formula:C15H26 O2
Molecular Weight:238.37
Hs Code.:2915900090
European Community (EC) Number:223-478-4
UNII:5RC970J93J
DSSTox Substance ID:DTXSID80884022
Nikkaji Number:J46.677H
Wikidata:Q27262779
Metabolomics Workbench ID:4270
Mol file:3915-83-1.mol

Synonyms:Neryl isovalerate;3915-83-1;Neryl isovalerianate;Neryl 3-methylbutanoate;Nerol isovalerate;FEMA No. 2778;Neryl 3-methylbutyrate;(Z)-Geranyl isovalerate;Neryl beta-methylbutyrate;Isovaleric acid neryl ester;[(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate;UNII-5RC970J93J;Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-;3,7-Dimethyl-2-cis-6-octadien-1-yl isovalerate;5RC970J93J;Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-;EINECS 223-478-4;2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, ISOVALERATE, (Z)-;Geranyl 3-methylbutanoate;Butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester;3,7-Dimethyl-2,6-octadienyl isovalerate, (Z)-;(Z)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate;WE(8:2(2Z,6E)(3Me,7Me)/4:0(3Me));3,7-Dimethyl-2,6-octadien-1-yl isopentanoate, cis-;3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate, cis-;3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate, (Z)-;Geranyl isopentanoate;Butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester;((2Z)-3,7-DIMETHYLOCTA-2,6-DIENYL) 3-METHYLBUTANOATE;trans-3,7-Dimethyl-2,6-octadienyl isopentanoate;Fema 2778;Neryl isovalerate, >=92%;Neryl .beta.-methyl butyrate;SCHEMBL1532537;NERYL ISOVALERATE [FHFI];FEMA 2518;DTXSID80884022;SOUKTGNMIRUIQN-ZROIWOOFSA-N;LMFA07010625;3,7-Dimethyl-isovalerate(E)-2,6-Octadien-1-ol;(2E)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate;Q27262779;3,7-Dimethyl-2,6-octadienyl ester(E)-Isovaleric acid;Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, cis-;(Z)-3,7- DIMETHYL-2,6-OCTADIEN-1-YL 3-METHYL BUTANOATE;CIS-3,7- DIMETHYL-2,6-OCTADIEN-1-YL 3-METHYL BUTANOATE

Suppliers and Price of Neryl isovalerate

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

American Custom Chemicals Corporation
NERYL ISOVALERATE 95.00%
1KG
$ 6934.50

American Custom Chemicals Corporation
NERYL ISOVALERATE 95.00%
100G
$ 2488.56

Total 5 raw suppliers

Chemical Property of Neryl isovalerate Edit

Chemical Property:

Vapor Pressure:0.00054mmHg at 25°C
Refractive Index:n20/D 1.458(lit.)
Boiling Point:312.1°Cat760mmHg
Flash Point:97.5°C
PSA：26.30000
Density:0.893g/cm³
LogP:4.26840
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:238.193280068
Heavy Atom Count:17
Complexity:281

Purity/Quality:

99% ^*data from raw suppliers

NERYL ISOVALERATE 95.00% ^*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:CC(C)CC(=O)OCC=C(C)CCC=C(C)C
Isomeric SMILES:CC(C)CC(=O)OC/C=C(/C)\CCC=C(C)C
Description Neryl isovalerate has a strong, rich, fruity odor reminiscent of bergamot, clary sage, and petitgrain. It has a bitter taste. Below 10 ppm, the flavor is berry-like, somewhat similar to black currant and apple. May be prepared by esterification of nerol with isovaleric acid.

Technology Process of Neryl isovalerate

There total 3 articles about Neryl isovalerate 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:

: 106-25-2
Nerol

: 108-12-3
isopentanoyl chloride

: 3915-83-1
neryl 3-methylbutanoate

Guidance literature:: With pyridine;
DOI:10.1016/S0040-4020(01)90885-3

Reference yield:

: 503-74-2
3-methylbutyric acid

: 123-35-3
7-methyl-3-methene-1,6-octadiene

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

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

: 105-87-3,8022-83-1
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 3915-83-1
neryl 3-methylbutanoate

: 109-20-6
[(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate

: 89-49-6
Isopulegol acetate

: 138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3
limonene.

Guidance literature:: With sodium acetate; In methoxybenzene; for 18h; under 760.051 Torr; Product distribution / selectivity; Heating / reflux;