4-Methylpent-4-enoic acid
CAS No.:
1001-75-8
M. Wt:
114.14200
M. Fa:
C6H10O2
InChI Key:
HVHBTFZQLHOFHA-UHFFFAOYSA-N
Appearance:
Colorless Liquid
Names and Identifiers of 4-Methylpent-4-enoic acid
CAS Number |
1001-75-8 |
|---|---|
MDL Number |
MFCD06208588 |
IUPAC Name |
4-methylpent-4-enoic acid |
InChI |
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8) |
InChIKey |
HVHBTFZQLHOFHA-UHFFFAOYSA-N |
Canonical SMILES |
CC(=C)CCC(=O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Methylpent-4-enoic acid
Boiling Point |
199℃ |
|---|---|
Density |
0.974 |
Exact Mass |
114.06800 |
Flash Point |
96℃ |
LogP |
1.42730 |
Molecular Formula |
C6H10O2 |
Molecular Weight |
114.14200 |
PSA |
37.30000 |
Storage condition |
2-8°C |
Safety Information of 4-Methylpent-4-enoic acid
Applications of 4-Methylpent-4-enoic acid
4-Methylpent-4-enoic acid finds applications in:
- Organic Synthesis: Serving as an intermediate for synthesizing pharmaceuticals and agrochemicals.
- Polymer Chemistry: Utilized in producing polymers and resins due to its reactive double bond.
- Flavoring and Fragrance Industry: Its unique odor profile makes it suitable for use in flavoring agents.
Interaction Studies of 4-Methylpent-4-enoic acid
Interaction studies on 4-Methylpent-4-enoic acid have primarily focused on its reactivity with other organic compounds. For example, its ability to undergo photoisomerization has been documented, indicating potential uses in photochemical applications. Further studies could explore its interactions with biological molecules, which may reveal additional functional properties.
Physical sample testing spectrum (NMR) of 4-Methylpent-4-enoic acid
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