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: 2026-04-16 19:33:17

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.

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-).

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).

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.