trans-2-Methyl-2-pentenoic acid
- CAS NO.:16957-70-3
- Empirical Formula: C6H10O2
- Molecular Weight: 114.14
- MDL number: MFCD00002655
- EINECS: 241-026-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 23:02:33
What is trans-2-Methyl-2-pentenoic acid?
Chemical properties
clear colorless to pale yellow liquid
Chemical properties
2-Methyl-2-pentenoic acid has a fruity odor.
Occurrence
Reported found in strawberry
The Uses of trans-2-Methyl-2-pentenoic acid
trans-2-Methyl-2-pentenoic Acid is an unsaturated analog of the anticonvulsant Valproic Acid (V094750) and is used for aroma characterization of different beers with different hops.
What are the applications of Application
trans-2-Methyl-2-pentenoic acid is a synthetic reagent used in asymmetric hydrogenation studies
Preparation
By distillation of 2-hydroxy-2-methylvaleric acid (cis-form).
Definition
ChEBI: 2-Methyl-2-pentenoic acid is a methyl-branched fatty acid. It is a conjugate acid of a 2-methyl-(2E)-pentenoate(1-).
Taste threshold values
Taste characteristics at 50 ppm: sour, acidic, sweaty, berry and fruit-like.
General Description
Adsorption and desorption of trans-2-methyl-2-pentenoic acid in dichloromethane has been investigated by using in situ attenuated total reflection infrared spectroscopy. Asymmetric hydrogenation of trans-2-methyl-2-pentenoic acid in hexane over two well defined E-40692 and E-5220 Engelhard Pd/Al2O3 catalysts modified with cinchonidine has been studied.
Flammability and Explosibility
Not classified
Properties of trans-2-Methyl-2-pentenoic acid
Melting point: | 26-28 °C (lit.) |
Boiling point: | 123-125 °C/30 mmHg (lit.) |
Density | 0.979 g/mL at 25 °C |
vapor density | >1 (vs air) |
vapor pressure | 1.63Pa at 24℃ |
refractive index | n |
FEMA | 3195 | 2-METHYL-2-PENTENOIC ACID |
Flash point: | 226 °F |
storage temp. | Sealed in dry,Room Temperature |
solubility | soluble in Chloroform, Methanol |
pka | 5.00±0.19(Predicted) |
form | clear liquid |
color | Colorless to Light orange to Yellow |
Odor | at 10.00 % in dipropylene glycol. fruity strawberry woody |
Water Solubility | insoluble |
CAS DataBase Reference | 16957-70-3(CAS DataBase Reference) |
NIST Chemistry Reference | 2-Pentenoic acid, 2-methyl-, (E)-(16957-70-3) |
EPA Substance Registry System | 2-Pentenoic acid, 2-methyl-, (2E)- (16957-70-3) |
Safety information for trans-2-Methyl-2-pentenoic 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. 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. |
Computed Descriptors for trans-2-Methyl-2-pentenoic acid
InChIKey | JJYWRQLLQAKNAD-SNAWJCMRSA-N |
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