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| CAS No.: | 2349-07-7 |
|---|---|
| Name: | Hexyl isobutyrate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H20 O2 |
| Molecular Weight: | 172.268 |
| 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 |
| EINECS: | 219-075-8 |
| Density: | 0.86 |
| Melting Point: | -78°C (estimate) |
| Boiling Point: | 199°C |
| Flash Point: | 164 ºF |
| Solubility: | 58.21mg/L at 20℃ |
| 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. |
| PSA: | 26.30000 |
| LogP: | 2.76590 |
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Chemistry
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:
Production
Raw materials is isobutyric acid.
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
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:
Xi
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
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.