Butyl caproate

• CAS: 626-82-4
• Catalog Number: ACM626824
• Category: Other Products
• Molecular Weight: 172.26
• Molecular Formula: C10H20O2
• Synonyms: Hexanoic acid, butyl ester
• IUPAC Name: Butyl hexanoate
• Canonical SMILES: CCCCCC(=O)OCCCC
• InChI: InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
• InChI Key: RPRPDTXKGSIXMD-UHFFFAOYSA-N
• Boiling Point: 61-62 °C
• Melting Point: -64.3 °C
• Flash Point: 178 ºF
• Density: 0.866 g/mL at 25 °C(lit.)
• Exact Mass: 172.146329876
• Monoisotopic Mass: 172.146329876
• Physical State: Liquid
• Refractive Index: n20/D 1.416(lit.)
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 26.3 Ų

Synthetic Use

Upstream Synthesis Route 1

• 1809-19-4
• 142-62-1

• 626-82-4

Reference: [1]Hoffmann; Weiss
[Journal of the American Chemical Society, 1957, vol. 79, p. 4759]

Upstream Synthesis Route 2

• 142-62-1
• 71-36-3

• 626-82-4

Reference: [1]Mandal, Arun K.
[Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 5, p. 505]

Upstream Synthesis Route 3

• 109-65-9
• 6946-90-3

• 626-82-4

Reference: [1]Puntambekar, Hemalata M.; Naik, D. G.; Kapadi, A. H.
[Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 6, p. 684 - 687]