Hexyl 2-methylbutanoate

Base Information

• Chemical Name: Hexyl 2-methylbutanoate
• CAS No.: 10032-15-2
• Deprecated CAS: 144810-17-3
• Molecular Formula: C11H22O2
• Molecular Weight: 186.294
• Hs Code.: 29154000
• European Community (EC) Number: 233-106-2
• UNII: UI17LL5Q4P
• DSSTox Substance ID: DTXSID4047599
• Nikkaji Number: J77.603C
• Wikidata: Q27291087
• Metabolomics Workbench ID: 48462
• ChEMBL ID: CHEMBL3561573
• Mol file: 10032-15-2.mol

Synonyms:Hexyl 2-methylbutanoate;Hexyl 2-methylbutyrate;10032-15-2;Butanoic acid, 2-methyl-, hexyl ester;BUTYRIC ACID, 2-METHYL-, HEXYL ESTER;2-Methylbutanoic acid, n-hexyl ester;FEMA No. 3499;HEXYL-2-METHYLBUTYRATE;Hexyl 2-methylbutanoate (natural);hexyl 2-methyl butyrate;EINECS 233-106-2;n-Hexyl 2-methylbutanoate;n-Hexyl 2-methyl butyrate;UNII-UI17LL5Q4P;BRN 1856407;UI17LL5Q4P;AI3-33623;DTXSID4047599;exyl 2-methylbutanoate;Hexyl 2 Methyl Butyrate;hexyl 2 - methylbutyrate;Hexyl 2-methylbutanoate #;2-Methylbutanoic acid hexyl;Nat.Hexyl 2 Methyl Butyrate;SCHEMBL573736;CHEMBL3561573;DTXCID2027599;N-HEXYL 2-METHYLBUTYRATE;FEMA 3499;CHEBI:156491;Tox21_302599;LMFA07010906;MFCD00048880;HEXYL 2-METHYLBUTYRATE [FCC];AKOS015903802;HEXYL 2-METHYLBUTYRATE [FHFI];LS-2815;NCGC00256766-01;AS-76706;CAS-10032-15-2;CS-0439610;FT-0613028;H1788;Hexyl 2-methylbutanoate, >=95%, FCC, FG;F86955;Hexyl 2-methylbutanoate, analytical reference material;Hexyl 2-methylbutanoate, natural (US), >=95%, FG;Q27291087

Chemical Property of Hexyl 2-methylbutanoate

Chemical Property:

• Vapor Pressure: 0.000815mmHg at 25°C
• Melting Point: -63.1°C (estimate)
• Refractive Index: n20/D 1.4185(lit.)
• Boiling Point: 214.151 °C at 760 mmHg
• Flash Point: 82.928 °C
• PSA: 26.30000
• Density: 0.871 g/cm³
• LogP: 3.15600
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Hexyl 2-methylbutanoate ≥95%, FCC, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)C(C)CC
• Description: Hexyl 2-methylbutyrate has a strong, green, fruity odor and a sweet, fruity taste reminiscent of unripe strawberry. May be synthesized by esterification of n-hexanol with 2 -methylbutanoic acid.

Technology Process of Hexyl 2-methylbutanoate

There total 1 articles about Hexyl 2-methylbutanoate 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:

2-Methylbutanoic acid (116-53-0,600-07-7) + hexan-1-ol (111-27-3) → 2-methylbutanoic acid hexyl ester (10032-15-2)

Guidance literature:

With acid;

DOI:10.1021/jf9508209

upstream raw materials:

2-Methylbutanoic acid

hexan-1-ol

Refernces