Pentanoic acid, octylester

Modify Date: 2025-11-25 19:44:27

Pentanoic acid, octylester Structure
Pentanoic acid, octylester structure
Common Name Pentanoic acid, octylester
CAS Number 5451-85-4 Molecular Weight 214.34400
Density 0.869g/cm3 Boiling Point 258.6ºC at 760mmHg
Molecular Formula C13H26O2 Melting Point N/A
MSDS N/A Flash Point 109.6ºC

 Names

Name octyl pentanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.869g/cm3
Boiling Point 258.6ºC at 760mmHg
Molecular Formula C13H26O2
Molecular Weight 214.34400
Flash Point 109.6ºC
Exact Mass 214.19300
PSA 26.30000
LogP 4.08030
Index of Refraction 1.432
InChIKey OUYCCOBIJYUMAK-UHFFFAOYSA-N
SMILES CCCCCCCCOC(=O)CCCC

 Safety Information

HS Code 2915600000

 Synthetic Route

~99%

Pentanoic acid, octylester Structure

Pentanoic acid,...

CAS#:5451-85-4

Literature: Divakar, Soundar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 9 p. 1919 - 1922

~87%

Pentanoic acid, octylester Structure

Pentanoic acid,...

CAS#:5451-85-4

Literature: Mori, Naoshi; Togo, Hideo Tetrahedron, 2005 , vol. 61, # 24 p. 5915 - 5925

 Customs

HS Code 2915600000
Summary 2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

Octyl valerate
Pentanoic acid,octyl ester
Valeric acid,octyl ester
Valeriansaeure-octylester
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