Nerolic acid

Base Information

Chemical Name:Nerolic acid
CAS No.:4613-38-1
Molecular Formula:C10H16O2
Molecular Weight:168.236
Hs Code.:2916190090
European Community (EC) Number:839-971-8
UNII:6K8MFD7K03
DSSTox Substance ID:DTXSID90109995
Nikkaji Number:J606H
Wikipedia:Nerolic_acid
Wikidata:Q18391807
Metabolomics Workbench ID:850
Mol file:4613-38-1.mol

Synonyms:Nerolic acid;4613-38-1;(Z)-3,7-Dimethylocta-2,6-dienoic acid;Neranic acid;cis-Geranic acid;Geranium acid;Neryl acid;Geranic acid B;(2Z)-3,7-dimethylocta-2,6-dienoic acid;(Z)-Geranic acid;Geranic acid, (Z)-;Geranic acid, (2Z)-;FEMA No. 4121, Z-;UNII-6K8MFD7K03;(Z)-3,7-Dimethyl-2,6-Octadienoic Acid;Neric acid;6K8MFD7K03;2,6-Octadienoic acid, 3,7-dimethyl-, (Z)-;2,6-Octadienoic acid, 3,7-dimethyl-, (2Z)-;3,7-dimethyl-2Z,6-octadienoic acid;(2Z)-3,7-DIMETHYL-2,6-OCTADIENOIC ACID;geraniumsaure;SCHEMBL310619;DTXSID90109995;LMFA01030440;3,7-dimethyl-2Z,6E-octadienoic acid;AKOS016004982;CS-0217418;EN300-7429959;Q18391807

Suppliers and Price of Nerolic acid

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
(Z)-3,7-DIMETHYLOCTA-2,6-DIENOIC ACID 95.00%
5MG
$ 505.65

Total 15 raw suppliers

Chemical Property of Nerolic acid

Chemical Property:

Boiling Point:90 °C(Press: 0.1 Torr)
PKA:5.09±0.33(Predicted)
PSA：37.30000
Density:0.960±0.06 g/cm3(Predicted)
LogP:2.76370
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:168.115029749
Heavy Atom Count:12
Complexity:208

Purity/Quality:

99% ^*data from raw suppliers

(Z)-3,7-DIMETHYLOCTA-2,6-DIENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CC(=O)O)C)C
Isomeric SMILES:CC(=CCC/C(=C\C(=O)O)/C)C

Technology Process of Nerolic acid

There total 7 articles about Nerolic acid 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:

: 5392-40-5,96680-15-8
(E/Z)-3,7-dimethyl-2,6-octadienal

: 4698-08-2
(E)-geranic acid

: 4613-38-1
nerolic acid

Guidance literature:: With formaldehyd; oxygen; bismuth(III) oxide; 2.5 weight % platinum on activated charcoal; In water; at 20 - 45 ℃; for 4.5h; Conversion of starting material;

Reference yield:

: 141-27-5,96680-15-8
3,7-dimethyl-2,6-octadienal

: 4698-08-2
(E)-geranic acid

: 4613-38-1
nerolic acid

Guidance literature:: With sodium hydroxide; silver nitrate; In methanol; water; at 55 - 56 ℃; for 0.75h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo01306a031

Reference yield:

: 106-26-3,96680-15-8
cis-3,7-dimethyl-2,6-octadienal

: 4698-08-2
(E)-geranic acid

: 4613-38-1
nerolic acid

Guidance literature:: With silver(l) oxide; In water; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo01306a031