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Hexyl trans-2-butenoate

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Name

Hexyl trans-2-butenoate

EINECS 242-808-8
CAS No. 19089-92-0 Density 0.885 g/mL at 25 °C(lit.)
PSA 26.30000 LogP 2.68600
Solubility N/A Melting Point -89.9°C (estimate)
Formula C10H18 O2 Boiling Point 215.6 ºC at 760 mmHg
Molecular Weight 170.252 Flash Point 193 ºF
Transport Information N/A Appearance N/A
Safety Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes 36/37/38
Molecular Structure Molecular Structure of 19089-92-0 (FEMA 3354) Hazard Symbols Low toxicity by ingestion and skin contact. A skin irritant.
Synonyms

Crotonicacid, hexyl ester (7CI,8CI); Hexyl 2-butenoate; Hexyl crotonate; NSC 67983

Article Data 3

Hexyl trans-2-butenoate Chemical Properties

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

Hexyl trans-2-butenoate Uses

  Hexyl (E)-but-2-enoate (CAS NO.19089-92-0) is mainly used for the preparation of pineapple flavor.

Hexyl trans-2-butenoate Production

Derived from crotonic acid (2-D acid) and hexanol formed in sulfuric acid-catalyzed by esterification.

Hexyl trans-2-butenoate 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.

Hexyl trans-2-butenoate Consensus Reports

Reported in EPA TSCA Inventory.

Hexyl trans-2-butenoate 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  IrritantXi
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

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