4-Acetyl-2-isopropenylpyridine
Basic information
- CAS
142896-12-6- Standard SMILES
C=C(C)c1cc(C(C)=O)ccn1- InChIKey
RYNRLVOZUDLPQK-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Overview
4-acetyl-2-isopropenylpyridine has been reported in Mentha arvensis with data available.
Names & identifiers
- Preferred name
- 4-Acetyl-2-isopropenylpyridine
- IUPAC
- 1-(2-prop-1-en-2-yl-4-pyridinyl)ethanone
- English name
- Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]- (9CI)
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
142896-12-64-acetyl-2-isopropenylpyridine1-(2-prop-1-en-2-ylpyridin-4-yl)ethanoneFEMA No. 4637UNII-B6R53E7DXBB6R53E7DXB(2-(1-Methylethenyl)-4-pyridinyl)ethanoneEthanone, 1-(2-(1-methylethenyl)-4-pyridinyl)-Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]-DTXSID60162214RefChem:97622DTXCID2084705
Show more names
1-[2-(1-Methylethenyl)-4-pyridinyl]ethanone
(2-(1-methyl ethenyl)-4-pyridinyl) ethanone1-(2-(Prop-1-en-2-yl)pyridin-4-yl)ethanoneEthanone, 1-[2-(1-methylethenyl)-4-pyridinyl]Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]- (9CI)1-(2-(Prop-1-en-2-yl)pyridin-4-yl)ethan-1-one1-[2-(Prop-1-en-2-yl)pyridin-4-yl]ethan-1-one1-[2-(PROP-1-EN-2-YL)PYRIDIN-4-YL]ETHANONEPyridine, 4-acetyl-2-(1-methylethenyl)
Database identifiers
- CAS
142896-12-6- PubChem CID
- 529352
- DTXSID
DTXSID60162214- UNII
- B6R53E7DXB
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.007-1.009
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point277-279º
Refractive Index1.517-1.519
Physical DescriptionLight yellow clear liquid; fermented herbal green aroma
Physicochemical properties
- Boiling point
- 278.1 · 278.1±28.0 °C(Predicted)
- Density
- 1.007 · 1.007±0.06 g/cm3(Predicted)
- FEMA
- 4637 · 4637 | 4-ACETYL-2-ISOPROPENYLPYRIDINE
- pka
- 3.12 · 3.12±0.10(Predicted)
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. herbal green fermented roasted
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…