553115
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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Assay:
97%
InChI
1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
SMILES string
CC(CC(O)=O)C=C
InChI key
QNPZXLANENFTFK-UHFFFAOYSA-N
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
Quality Level
Related Categories
General description
3-Methyl-4-pentenoic acid can be synthesized from crotyl acetate via Claisen rearrangement.
Application
3-Methyl-4-pentenoic acid may be used to synthesize:
- trans- and cis-5-phenylseleno-3-methyl-4-pentanolides
- trans- and cis-5-iodo-3-methyl-4-pentanolides
- 3-methyl-4-pentene-1-ol
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
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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1, 2-Diferrocenylethane from an Unusual Reaction
Jr R.et al.
Journal of the American Chemical Society, 81(12), 3162-3163 (1959)
The ester enolate Claisen rearrangement. Stereochemical control through stereoselective enolate formation
Ireland ER, et al.
Journal of the American Chemical Society, 98(10), 2868-2877 (1976)
Back TG.
Organosilicon Chemistry, 40-40 (1999)
Stereoselective selenolactonization by superelectrophilic benzeneselenenyl triflate.
Murata S and Suzuki T.
Chemistry Letters (Jpn), 5, 849-852 (1987)
Understanding the effect of allylic methyls in olefin cross-metathesis.
Courchay FC, et al.
Journal of Organometallic Chemistry, 691(4), 585-594 (2006)
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