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Hexyl isobutyrate

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Name

Hexyl isobutyrate

EINECS 219-075-8
CAS No. 2349-07-7 Density 0.86
PSA 26.30000 LogP 2.76590
Solubility 58.21mg/L at 20℃ Melting Point -78°C (estimate)
Formula C10H20 O2 Boiling Point 199°C
Molecular Weight 172.268 Flash Point 164 ºF
Transport Information N/A Appearance Colorless liquid with fresh apple-pineapple like odor
Safety Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 2349-07-7 (Hexyl isobutyrate) Hazard Symbols N/A
Synonyms

Isobutyricacid, hexyl ester (7CI,8CI); 1-Hexyl isobutyrate; Hexyl 2-methylpropanoate;Hexyl 2-methylpropionate; Hexyl isobutanoate; Hexyl isobutyrate; NSC 46108;n-Hexyl iso-butyrate; n-Hexyl isobutyrate

Article Data 3

Hexyl isobutyrate Chemical Properties

Chemistry informtion about N-Hexyl Isobutyrate (CAS NO.2349-07-7) is:
IUPAC Name: Hexyl 2-Methylpropanoate
Synonyms: Hexyl Isobutyrate ; Hexyl 2-Methylpropanoate ; Fema 3172 ; 1-Hexyl Isobutyrate ; N-Hexyl Isobutyrate ; 2-Methyl-Propanoicacihexylester ; Hexyl Isobutanoate ; Hexylisobutanoate
Product Categories: Alphabetical Listings ; Flavors and Fragrances ; G-H
MF: C10H20O2
MW: 172.26
EINECS: 219-075-8
Density: 0.872 g/cm3
Flash Point: 71.4 °C
Enthalpy of Vaporization: 43.19 kJ/mol
Boiling Point: 195.7 °C at 760 mmHg
Vapour Pressure: 0.413 mmHg at 25°C 
Refractive Index: n20/D 1.413(lit.)
FEMA: 3172 
Following is the molecular structure of N-Hexyl Isobutyrate (CAS NO.2349-07-7) is:

Hexyl isobutyrate Production

Raw materials is isobutyric acid.

Hexyl isobutyrate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 719, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 719, 1982.

Hexyl isobutyrate Consensus Reports

Reported in EPA TSCA Inventory.

Hexyl isobutyrate Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:
IrritantXi
Risk Statements:
R36/38:Irritating to eyes and skin.
Safety Statements:
S2:Keep out of the reach of children. 
S24/25:Avoid contact with skin and eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS: NQ4695000

Hexyl isobutyrate Specification

 N-Hexyl Isobutyrate (CAS NO.2349-07-7) is a colorless clear liquid. To protect yourself,you can take eyeshields, full-face respirator (US), gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter.

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