Isopentyl isobutyrate

Modify Date: 2025-08-20 17:37:15

Isopentyl isobutyrate Structure
Isopentyl isobutyrate structure
Common Name Isopentyl isobutyrate
CAS Number 2050-01-3 Molecular Weight 158.23800
Density 0.856 g/mL at 25 °C(lit.) Boiling Point 169-171 °C(lit.)
Molecular Formula C9H18O2 Melting Point -70ºC
MSDS Chinese USA Flash Point 129 °F
Symbol GHS02
GHS02
Signal Word Warning

 Names

Name isoamyl isobutyrate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.856 g/mL at 25 °C(lit.)
Boiling Point 169-171 °C(lit.)
Melting Point -70ºC
Molecular Formula C9H18O2
Molecular Weight 158.23800
Flash Point 129 °F
Exact Mass 158.13100
PSA 26.30000
LogP 2.23170
Vapour Pressure 1.89mmHg at 25°C
Index of Refraction n20/D 1.406(lit.)
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
SMILES CC(C)CCOC(=O)C(C)C
Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.

 Safety Information

Symbol GHS02
GHS02
Signal Word Warning
Hazard Statements H226
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Risk Phrases 10
Safety Phrases S16
RIDADR UN 2620 3/PG 3
WGK Germany 3
Packaging Group III
Hazard Class 3.0
HS Code 2915600000

 Synthetic Route

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Isopentyl isobutyrate Structure

Isopentyl isobu...

CAS#:2050-01-3

Literature: Zhurnal Obshchei Khimii, , vol. 8, p. 1096 Chem. Zentralbl., , vol. 110, # I p. 2401

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Isopentyl isobutyrate Structure

Isopentyl isobu...

CAS#:2050-01-3

Literature: Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 154, p. 176

 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

Isobutyric Acid Isoamyl Ester
IsoaMyl Isobutyrate
Isopentyl isobutyrate
isobutyric acid isopentyl ester
MFCD00053719
2-methylpropanoic acid 3-methylbutyl ester
EINECS 218-078-1
Propanoic acid,2-methyl-,3-methylbutyl ester
3-methylbutyl 2-methylpropanoate
Isobuttersaeure-isopentylester
3-Methylbutyl isobutyrate
i-pentyl i-butyrate
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