ChemicalBook--->CAS DataBase List--->16957-70-3

16957-70-3

16957-70-3 Structure

16957-70-3 Structure
IdentificationMore
[Name]

trans-2-Methyl-2-pentenoic acid
[CAS]

16957-70-3
[Synonyms]

2-METHYL-2-PENTENOIC ACID
(e)-2-methylpent-2-en-1-oic acid
FEMA 3195
FEMA NUMBER 3195
RARECHEM AL BE 0127
STRAWBERRIFF
TRANS-2-METHYL-2-PENTENOIC ACID
(2E)-2-Methyl-2-pentenoic acid
(e)-2-pentenoicaci
TRANS-2-METHYL-2-PENTENOIC ACID 98+% F
2-Pentenoic acid, 2-methyl-, (2E)-
(E)-2-Methylpent-2-en-1-sure
METHYL-2-PENTENSAEURE, 2-
trans-2-Methyl-2-pentenoic acid
2-METHYL-2-PENTENOIC ACID, NATURAL
(E)-2-Methyl-2-pentenoic acid
(E)-2-Methyl-2-pentenoyl chloride
(E)-2-Methylpent-2-enoic acid
[EINECS(EC#)]

241-026-4
[Molecular Formula]

C6H10O2
[MDL Number]

MFCD00002655
[Molecular Weight]

114.14
[MOL File]

16957-70-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to pale yellow liquid
[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
[refractive index ]

n20/D 1.46(lit.)
[Fp ]

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]

16957-70-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 3
[WGK Germany ]

2
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2916199590
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(E)-2-Methylpent-2-en-1-oic acid(16957-70-3).msds
Hazard InformationBack Directory
[Chemical Properties]

2-Methyl-2-pentenoic acid has a fruity odor.
[Chemical Properties]

clear colorless to pale yellow liquid
[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.
[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-).
[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]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

trans-2-Methyl-2-pentenoic acid(16957-70-3)MS
trans-2-Methyl-2-pentenoic acid(16957-70-3)1HNMR
trans-2-Methyl-2-pentenoic acid(16957-70-3)13CNMR
trans-2-Methyl-2-pentenoic acid(16957-70-3)IR1
trans-2-Methyl-2-pentenoic acid(16957-70-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2-Methyl-2-pentenoic acid, 97%(16957-70-3)
[Sigma Aldrich]

16957-70-3(sigmaaldrich)
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