trans-2-Hexenoic acid
- CAS NO.：13419-69-7
- Empirical Formula: C6H10O2
- Molecular Weight: 114.14
- MDL number: MFCD00002705
- EINECS: 236-528-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-18 17:01:59
What is trans-2-Hexenoic acid?
Description
trans-2-Hexenoic acid has a pleasant fatty characteristic and is long-lasting. This substance may be synthesized by condensation of butyraldehyde with malonic acid.
Chemical properties
white crystalline low melting solid
Chemical properties
trans-2-Hexenoic acid has a pleasant, fatty, characteristic, long-lasting odor.
Occurrence
Reported found in Japanese peppermint oil, apple, banana, bilberry, guava, pork fat, white wine, tea, starfruit, loquat and loganberry.
The Uses of trans-2-Hexenoic acid
(2E)-2-Hexenoic Acid is used in the synthesis of antitumor dehydroepiandrosteronederivatives. Also used in the synthesis of phosphatase 1B inhibitors.
What are the applications of Application
trans-2-Hexenoic acid is used in the synthesis of antitumor dehydroepiandrosteronederivatives
Definition
ChEBI: The (E)-stereoisomer of hexenoic acid.
Preparation
By condensation of butyraldehyde with malonic acid
Properties of trans-2-Hexenoic acid
| Melting point: | 33-35 °C (lit.) |
| Boiling point: | 217 °C (lit.) |
| Density | 0.965 g/mL at 25 °C (lit.) |
| vapor density | >1 (vs air) |
| refractive index | n |
| FEMA | 3169 | TRANS-2-HEXENOIC ACID |
| Flash point: | >230 °F |
| storage temp. | 2-8°C |
| Water Solubility | Insoluble in water |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | powder to lump to clear liquid |
| pka | pK1:4.74 (25°C) |
| Specific Gravity | 0.965 |
| color | White or Colorless to Light yellow |
| Odor | at 1.00 % in propylene glycol. powerful fruity sweet warm herbal |
| JECFA Number | 1361 |
| BRN | 1720443 |
| CAS DataBase Reference | 13419-69-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Hexenoic acid, (E)-(13419-69-7) |
| EPA Substance Registry System | 2-Hexenoic acid, (2E)- (13419-69-7) |
Safety information for trans-2-Hexenoic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. 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. |
Computed Descriptors for trans-2-Hexenoic acid
| InChIKey | NIONDZDPPYHYKY-SNAWJCMRSA-N |
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