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trans-2-Methyl-2-pentenoic acid

Basic information Safety Supplier Related

trans-2-Methyl-2-pentenoic acid Basic information

Product Name:
trans-2-Methyl-2-pentenoic acid
Synonyms:
  • FEMA NUMBER 3195
  • FEMA 3195
  • (e)-2-methylpent-2-en-1-oic acid
  • RARECHEM AL BE 0127
  • STRAWBERRIFF
  • TRANS-2-METHYL-2-PENTENOIC ACID 98+% F
  • 2-Pentenoic acid, 2-methyl-, (2E)-
  • (E)-2-Methylpent-2-en-1-sure
CAS:
16957-70-3
MF:
C6H10O2
MW:
114.14
EINECS:
241-026-4
Product Categories:
  • C6
  • Carbonyl Compounds
  • Carboxylic Acids
Mol File:
16957-70-3.mol
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trans-2-Methyl-2-pentenoic acid Chemical Properties

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℃
FEMA 
3195 | 2-METHYL-2-PENTENOIC ACID
refractive index 
n20/D 1.46(lit.)
Flash point:
226 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
soluble in Chloroform, Methanol
form 
clear liquid
pka
5.00±0.19(Predicted)
color 
Colorless to Light orange to Yellow
Odor
at 10.00 % in dipropylene glycol. fruity strawberry woody
Odor Type
fruity
Water Solubility 
insoluble
InChIKey
JJYWRQLLQAKNAD-SNAWJCMRSA-N
LogP
1.9 at 25℃
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)
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Safety Information

Hazard Codes 
C
Risk Statements 
34
Safety Statements 
26-36/37/39-45
RIDADR 
UN 3261 8/PG 3
WGK Germany 
2
TSCA 
Yes
HazardClass 
8
PackingGroup 
III
HS Code 
2916199590

MSDS

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trans-2-Methyl-2-pentenoic acid Usage And Synthesis

Chemical Properties

clear colorless to pale yellow liquid

Chemical Properties

2-Methyl-2-pentenoic acid has a fruity odor.

Occurrence

Reported found in strawberry

Uses

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.

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

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