Basic information
- CAS
142896-11-5- Standard SMILES
C=C(C)c1ccnc(C(C)=O)c1- InChIKey
QGALSOGFUDWZMF-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Overview
2-acetyl-4-isopropenylpyridine has been reported in Mentha arvensis with data available.
Names & identifiers
- Preferred name
- 2-Acetyl-4-isopropenylpyridine
- IUPAC
- 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone
- English name
- Ethanone, 1-[4-(1-methylethenyl)-2-pyridinyl]- (9CI)
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
142896-11-52-acetyl-4-isopropenylpyridineEthanone, 1-[4-(1-methylethenyl)-2-pyridinyl]-1-(4-prop-1-en-2-ylpyridin-2-yl)ethanoneFEMA No. 4636UNII-X5N63661OZ(4-(1-Methylethenyl)-2-pyridinyl)ethanoneX5N63661OZEthanone, 1-(4-(1-methylethenyl)-2-pyridinyl)-DTXSID00162213RefChem:84976DTXCID7084704
Show more names
(4-(1-methyl ethenyl)-2-pyridinyl) ethanone1-(4-(Prop-1-en-2-yl)pyridin-2-yl)ethanoneEthanone, 1-[4-(1-methylethenyl)-2-pyridinyl]- (9CI)Pyridine, 2-acetyl-4-(1-methylethenyl)Ethanone, 1-[4-(1-methylethenyl)-2-pyridinyl]SCHEMBL9444899QGALSOGFUDWZMF-UHFFFAOYSA-NAKOS028108676
Database identifiers
- CAS
142896-11-5- PubChem CID
- 529344
- DTXSID
DTXSID00162213- UNII
- X5N63661OZ
Properties
Computed structural properties
- XLogP
- 2.3
- 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
Density1.006-1.008
Solubility
Sparingly soluble in water
Soluble (in ethanol)
Boiling Point270-272 °C
Refractive Index1.518-1.520
Physical DescriptionLight yellow clear liquid; grassy green aroma
Physicochemical properties
- Boiling point
- 271.2 · 271.2±28.0 °C(Predicted)
- Density
- 1.007 · 1.007±0.06 g/cm3(Predicted)
- FEMA
- 4636 · 4636 | 2-ACETYL-4-ISOPROPENYLPYRIDINE
- pka
- 2.57 · 2.57±0.10(Predicted)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. grassy sweet minty amber
- Odor Type
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
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers4 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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