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: 2024-10-28 16:48:35

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	n20/D 1.46(lit.)
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.