4-methylpentan-2-yl heptanoate

Modify Date: 2025-11-25 18:58:14

4-methylpentan-2-yl heptanoate Structure
4-methylpentan-2-yl heptanoate structure
Common Name 4-methylpentan-2-yl heptanoate
CAS Number 5332-90-1 Molecular Weight 214.34400
Density 0.866g/cm3 Boiling Point 239.5ºC at 760 mmHg
Molecular Formula C13H26O2 Melting Point N/A
MSDS N/A Flash Point 104ºC

 Names

Name 4-methylpentan-2-yl heptanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.866g/cm3
Boiling Point 239.5ºC at 760 mmHg
Molecular Formula C13H26O2
Molecular Weight 214.34400
Flash Point 104ºC
Exact Mass 214.19300
PSA 26.30000
LogP 3.93460
Index of Refraction 1.43
InChIKey NURGZTFSRBVTJB-UHFFFAOYSA-N
SMILES CCCCCCC(=O)OC(C)CC(C)C

 Safety Information

HS Code 2915900090

 Synthetic Route

~%

4-methylpentan-2-yl heptanoate Structure

4-methylpentan-...

CAS#:5332-90-1

Literature: Bailey; Hewitt Journal of Organic Chemistry, 1956 , vol. 21, p. 543,545

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

heptanoic acid,3-dimethylbutyl ester
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