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MilliporeSigma

553115

Sigma-Aldrich

3-Methyl-4-pentenoic acid

97%

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About This Item

Linear Formula:
CH2=CHCH(CH3)CH2CO2H
CAS Number:
Molecular Weight:
114.14
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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assay

97%

refractive index

n20/D 1.429 (lit.)

bp

75-76 °C/4 mmHg (lit.)

density

0.94 g/mL at 25 °C (lit.)

functional group

carboxylic acid

SMILES string

CC(CC(O)=O)C=C

InChI

1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)

InChI key

QNPZXLANENFTFK-UHFFFAOYSA-N

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This Item
232211245925264776
assay

97%

assay

95%

assay

97%

assay

97%

density

0.94 g/mL at 25 °C (lit.)

density

-

density

0.981 g/mL at 25 °C (lit.)

density

-

refractive index

n20/D 1.429 (lit.)

refractive index

-

refractive index

n20/D 1.428 (lit.)

refractive index

n20/D 1.46 (lit.)

bp

75-76 °C/4 mmHg (lit.)

bp

110 °C/30 mmHg (lit.)

bp

83-84 °C/12 mmHg (lit.)

bp

123-125 °C/30 mmHg (lit.)

functional group

carboxylic acid

functional group

carboxylic acid

functional group

allyl, carboxylic acid

functional group

carboxylic acid

General description

3-Methyl-4-pentenoic acid can be synthesized from crotyl acetate via Claisen rearrangement.[1]

Application

3-Methyl-4-pentenoic acid may be used to synthesize:
  • trans- and cis-5-phenylseleno-3-methyl-4-pentanolides[2][3]
  • trans- and cis-5-iodo-3-methyl-4-pentanolides[2]
  • 3-methyl-4-pentene-1-ol[4]

pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

199.9 °F - closed cup

flash_point_c

93.3 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


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