trans-2-Methyl-2-pentenoic acid

CAS
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CAS
16957-70-3
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Purity
99%
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Catalog Number

ACM16957703

Product Name

trans-2-Methyl-2-pentenoic acid

Structure

CAS

16957-70-3

Category

Heterocyclic Organic Compound

Synonyms

Strawberriff

IUPAC Name

(E)-2-Methylpent-2-enoic acid

Molecular Weight

114.14

Molecular Formula

C6H10O2

Canonical SMILES

CCC=C(C)C(=O)O

InChI

InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+

InChI Key

JJYWRQLLQAKNAD-SNAWJCMRSA-N

Boiling Point

123-125 °C/30 mmHg(lit.)

Melting Point

26-28 °C(lit.)

Flash Point

226 °F

Density

0.979 g/mL at 25 °C

Solubility

Insoluble in water

Appearance

Clear liquid

Storage

Sealed in dry, room temperature

Complexity

114

Exact Mass

114.068079557

Isomeric SMILES

CC/C=C(\C)/C(=O)O

Monoisotopic Mass

114.068079557

pKa

5.00±0.19(Predicted)

Refractive Index

n20/D 1.46(lit.)

Topological Polar Surface Area

37.3 Å²

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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