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Basic Information
| CAS No.: | 539-90-2 |
|---|---|
| Name: | Isobutyl butyrate |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H16O2 |
| Molecular Weight: | 144.214 |
| Synonyms: | Butyricacid, isobutyl ester (6CI,7CI,8CI);2-Methylpropyl butanoate;2-Methylpropylbutyrate;Isobutyl butanoate;Isobutyl n-butyrate;NSC406938; |
| EINECS: | 208-729-8 |
| Density: | 0.876 g/cm3 |
| Melting Point: | -88.07°C (estimate) |
| Boiling Point: | 156.3 °C at 760 mmHg |
| Flash Point: | 45.6 °C |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 N
|
| Risk Codes: | 10-50/53 |
| Safety: | 16-27-36/37/39-61-60 |
| Transport Information: | UN 3272 3/PG 3 |
| PSA: | 26.30000 |
| LogP: | 1.98570 |
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Isobutyl butyrate
Chemistry
The molecular formula of Isobutyl butyrate(539-90-2) is C8H16O2 and its formula weight is 144.21.
The density of Isobutyl butyrate(539-90-2) is 0.861 g/mL at 25 °C(lit.) and it has a boiling point of 157-158 °C(lit.). The refractive index is about 1.403(lit.). Its flash point is 114 °F.
The chemical synonyms of Isobutyl butyrate(539-90-2) are N-BUTYRIC ACID ISOBUTYL ESTER;2-methyl-1-butylbutanoate;Butanoic acid, methyl propyl ester;Butanoicacid,2-methylpropylester;butanoicacid2-methylpropylester;Butyric acid, isobutyl ester;butyricacid,isobutylester;butyricacidisobutylester
The molecular structure of Isobutyl butyrate(539-90-2):
The density of Isobutyl butyrate(539-90-2) is 0.861 g/mL at 25 °C(lit.) and it has a boiling point of 157-158 °C(lit.). The refractive index is about 1.403(lit.). Its flash point is 114 °F.
The chemical synonyms of Isobutyl butyrate(539-90-2) are N-BUTYRIC ACID ISOBUTYL ESTER;2-methyl-1-butylbutanoate;Butanoic acid, methyl propyl ester;Butanoicacid,2-methylpropylester;butanoicacid2-methylpropylester;Butyric acid, isobutyl ester;butyricacid,isobutylester;butyricacidisobutylester
The molecular structure of Isobutyl butyrate(539-90-2):
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | FCTXAV Food and Cosmetics Toxicology. 17 (1979),833. | ||
| 2. | orl-rbt LD50:9520 mg/kg | IMSUAI Industrial Medicine and Surgery. 41 (1972),31. | ||
| 3. | idu-rbt LD50:9500 mg/kg | FCTXAV Food and Cosmetics Toxicology. 17 (Suppl),(1979),695. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mildly toxic by ingestion and intraduodenal routes. A skin irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes N
Risk Statements 10-50/53
Safety Statements 16-27-36/37/39-61-60
RIDADR UN 3272 3/PG 3
WGK Germany 2
RTECS ET5020000
HazardClass 3.2
PackingGroup III
Hazard Codes N
Risk Statements 10-50/53
Safety Statements 16-27-36/37/39-61-60
RIDADR UN 3272 3/PG 3
WGK Germany 2
RTECS ET5020000
HazardClass 3.2
PackingGroup III