TRANS-2-PENTENOIC ACID
Synonym(s):trans-2-Pentenoic acid
- CAS NO.：13991-37-2
- Empirical Formula: C5H8O2
- Molecular Weight: 100.12
- MDL number: MFCD00002704
- EINECS: 237-791-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-25 20:04:51
What is TRANS-2-PENTENOIC ACID?
Chemical properties
clear colorless to light yellow liquid
Chemical properties
Colorless liquid; sour caramellic aroma.
Occurrence
Reported found in banana and beer.
The Uses of TRANS-2-PENTENOIC ACID
2-Pentenoic acid has been used in preparation of new nonsteroidal human androgen receptor (hAR) agonists from an hAR antagonist pharmacophore, 2(1H)-piperidino[3,2-g]quinolinone.
Definition
ChEBI: A pent-3-enoic acid in trans- configuration.
Aroma threshold values
Medium strength odor, cheese type; recommend smelling in a 1% solution or less.
Taste threshold values
Sour acetic buttery taste at 25 ppm in water.
Properties of TRANS-2-PENTENOIC ACID
| Melting point: | 9-11 °C(lit.) |
| Boiling point: | 106 °C20 mm Hg(lit.) |
| Density | 0.99 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 4193 | 2-PENTENOIC ACID |
| Flash point: | 102 °C |
| storage temp. | Store below +30°C. |
| solubility | 60g/l |
| form | Liquid |
| pka | pK1:4.70 (25°C) |
| color | Clear colorless to light yellow |
| Odor | at 100.00 %. acidic feta cheese buttery |
| explosive limit | 1.6%(V) |
| JECFA Number | 1804 |
| BRN | 1720312 |
| CAS DataBase Reference | 13991-37-2(CAS DataBase Reference) |
| EPA Substance Registry System | 2-Pentenoic acid, (2E)- (13991-37-2) |
Safety information for TRANS-2-PENTENOIC ACID
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for TRANS-2-PENTENOIC ACID
| InChIKey | YIYBQIKDCADOSF-ONEGZZNKSA-N |
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