Isoamyl isovalerate

Base Information Edit

Chemical Name:Isoamyl isovalerate
CAS No.:659-70-1
Molecular Formula:C10H20O2
Molecular Weight:172.268
Hs Code.:2915 60 90
European Community (EC) Number:211-536-1
NSC Number:6565
UNII:16M1VA1FJY
DSSTox Substance ID:DTXSID8044757
Nikkaji Number:J2.103B
Wikidata:Q11066025
Metabolomics Workbench ID:44169
ChEMBL ID:CHEMBL3189076
Mol file:659-70-1.mol

Synonyms:ISOAMYL ISOVALERATE;659-70-1;Isopentyl 3-methylbutanoate;3-Methylbutyl 3-methylbutanoate;Isopentyl isopentanoate;Solusterol;iso-Amyl isovalerate;Isopentyl isovalerate;Isoamyl valerianate;Apple essence;3-Methylbutyl isovalerate;Isovaleric acid, isopentyl ester;Butanoic acid, 3-methyl-, 3-methylbutyl ester;Isoamyl 3-methylbutanoate;Isopentyl 3-methylbutyrate;Isoamyl 3-methylbutyrate;3-Methylbutyl 3-methylbutyrate;Isoamyl isopentanoate;Isoamyl isovalerianate;Isopentyl alcohol, isovalerate;FEMA No. 2085;NSC 6565;Isoamyl isovalerate (natural);Isovaleric Acid Isoamyl Ester;CCRIS 1348;EINECS 211-536-1;UNII-16M1VA1FJY;BRN 1753884;16M1VA1FJY;3-methylbutanoic acid 3-methylbutyl ester;AI3-06045;DTXSID8044757;CHEBI:31727;NSC-6565;isoamyl_isovalerate;iso-amyl iso-valerate;Isovaleric acid isoamyl;Nat.Isoamyl Isovalerate;ISOAMYLISOVALERATE;isoamyl 3-methyl butanoate;3 - methylbutyl isovalerate;Isopentyl 3-methylbutanoate #;SCHEMBL113763;Isovaleric Acid Isopentyl Ester;CHEMBL3189076;DTXCID6024757;ISOAMYL ISOVALERATE [MI];FEMA 2085;XINCECQTMHSORG-UHFFFAOYSA-;ISOAMYL ISOVALERATE [FCC];NSC6565;NATURAL ISOAMYL ISOVALERATE;ISOAMYL ISOVALERATE [FHFI];Tox21_301620;WLN: 1Y1&2OV1Y1&1;LMFA07010919;MFCD00048369;AKOS015907822;(3-methyl-1-butyl) 3-methylbutanoate;LS-2395;Isoamyl isovalerate, >=98%, FCC, FG;NCGC00256163-01;AS-59218;CAS-659-70-1;3-methyl-butyric acid 3-methyl-butyl ester;FT-0657233;I0196;D97798;Isoamyl isovalerate, natural, >=98%, FCC, FG;A835290;W-104778;Q11066025

Suppliers and Price of Isoamyl 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

TCI Chemical
Isoamyl Isovalerate >98.0%(GC)
25mL
$ 21.00

TCI Chemical
Isoamyl Isovalerate >98.0%(GC)
500mL
$ 125.00

Sigma-Aldrich
Isoamyl Isovalerate natural, ≥98%, FCC, FG
100 g
$ 120.00

Sigma-Aldrich
Isoamyl Isovalerate natural, ≥98%, FCC, FG
100g-k
$ 120.00

Sigma-Aldrich
3-Methylbutyl isovalerate for synthesis. CAS 659-70-1, molar mass 172.27 g/mol., for synthesis
8149930250
$ 70.90

Sigma-Aldrich
Isoamyl Isovalerate ≥98%, FCC, FG
1 kg
$ 70.00

Sigma-Aldrich
3-Methylbutyl isovalerate for synthesis
250 mL
$ 67.89

Sigma-Aldrich
Isoamyl Isovalerate ≥98%,FCC,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Isoamyl Isovalerate natural,≥98%,FCC,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Isoamyl Isovalerate ≥98%, FCC, FG
sample-k
$ 50.00

Total 101 raw suppliers

Chemical Property of Isoamyl isovalerate Edit

Chemical Property:

Appearance/Colour:colorless to yellowish transparent liquid
Vapor Pressure:0.452mmHg at 25°C
Melting Point:-58.15°C
Refractive Index:n20/D 1.412(lit.)
Boiling Point:194 °C at 760 mmHg
Flash Point:65.2 °C
PSA：26.30000
Density:0.87 g/cm³
LogP:2.62180
Storage Temp.:Store below +30°C.
Solubility.:0.016g/l
Water Solubility.:48.1mg/L at 20℃
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Heavy Atom Count:12
Complexity:128

Purity/Quality:

99% ^*data from raw suppliers

Isoamyl Isovalerate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCOC(=O)CC(C)C
Description Isoamyl isovalerate has a characteristic fruity odor and a sweet apple-like flavor. May be prepared by passing vapors of isoamyl alcohol and isovaleric aldehyde over a copper uranium based catalyst at 240 - 280°C in the presence of hydrogen.
Uses As apple essence for flavoring liqueurs and candy. Isopentyl 3-Methylbutanoate is used in method for preparing essence compound of olfactory recognition book suitable for olfactory sense of Chines.

Technology Process of Isoamyl isovalerate

There total 34 articles about Isoamyl 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: 96.0%