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| CAS No.: | 19089-92-0 |
|---|---|
| Name: | FEMA 3354 |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H18 O2 |
| Molecular Weight: | 170.252 |
| Synonyms: | Crotonicacid, hexyl ester (7CI,8CI); Hexyl 2-butenoate; Hexyl crotonate; NSC 67983 |
| EINECS: | 242-808-8 |
| Density: | 0.885 g/mL at 25 °C(lit.) |
| Melting Point: | -89.9°C (estimate) |
| Boiling Point: | 215.6 ºC at 760 mmHg |
| Flash Point: | 193 ºF |
| Hazard Symbols: | Low toxicity by ingestion and skin contact. A skin irritant. |
| Risk Codes: | 36/37/38 |
| 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: | 2.68600 |
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Chemistry
IUPAC Name: Hexyl (E)-but-2-enoate
Product Name: FEMA 3354
The MF of Hexyl (E)-but-2-enoate (CAS NO.19089-92-0) is C10H18O2.
The MW of Hexyl (E)-but-2-enoate (CAS NO.19089-92-0) is 170.25.
Synonyms of Hexyl (E)-but-2-enoate (CAS NO.19089-92-0): 2-Butenoic acid, hexyl ester, (2E)- ; 2-Butenoic acid, hexyl ester, (E)- ; Crotonic acid, hexyl ester, (E)- ; 2-Butenoic acid, hexyl ester ; 2-Butenoic acid, hexyl ester, (2Z)-
Form: Colorless liquid with fruit and wood aroma, pineapple like flavor
Index of Refraction: 1.439
EINECS: 242-808-8
Density: 0.892 g/ml
Flash Point: 89.4 °C
Boiling Point: 215.6 °C
FEMA: 3354
Uses
Hexyl (E)-but-2-enoate (CAS NO.19089-92-0) is mainly used for the preparation of pineapple flavor.
Production
Derived from crotonic acid (2-D acid) and hexanol formed in sulfuric acid-catalyzed by esterification.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 20 (1982),715. | ||
| 2. | orl-rat LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),715. | ||
| 3. | skn-rbt LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),715. |
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.Safety information of Hexyl (E)-but-2-enoate (CAS NO.19089-92-0):
Hazard Codes 
Xi
Risk Statements
36/37/38 Irritating to eyes, respiratory system and skin
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39 Wear suitable protective clothing, gloves and eye/face protection
WGK Germany 2
RTECS GQ4222000