Basic information
- CAS
1504-75-2- Standard SMILES
Cc1ccc(/C=C/C=O)cc1- InChIKey
DKOUYOVAEBQFHU-NSCUHMNNSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Overview
3-(4-Methylphenyl)-2-propenal is a member of cinnamaldehydes.
Names & identifiers
- Preferred name
- p-Methylcinnamaldehyde
- IUPAC
- (E)-3-(4-methylphenyl)prop-2-enal
- English name
- 2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E)
- Molecular formula
- C10H10O
- Molecular weight
- 146.19
Names & synonyms
p-Methylcinnamaldehyde4-Methylcinnamaldehyde3-P-Tolylpropenal1504-75-22-Propenal, 3-(4-methylphenyl)-FEMA No. 3640Cinnamaldehyde, p-methyl-3-(P-Methylphenyl)propenalp-methyl cinnamaldehydeMethylcinnamaldehyde, p-9006RI7I1EP-METHYL CINNAMALDEHYDE [FHFI]
Show more names
(E)-p-Methylcinnamaldehyde(E)-4-Methylcinnamaldehyde(E)-3-p-tolylacrylaldehyderans-4-Methylcinnamaldehydetrans-p-Methylcinnamaldehydetrans-4-Methylcinnamaldehyde(E)-3-(4-Methylphenyl)acrolein(E)-3-(4-Methylphenyl)-2-propenal
DTXSID301009872RefChem:8581283-(p-Methylphenyl) propenalDTXCID00811411604-741-6(E)-3-(p-Tolyl)acrylaldehyde56578-35-93-(p-Tolyl)acrylaldehyde
Database identifiers
- CAS
1504-75-2、56578-35-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; moderately soluble in oils
moderately soluble (in ethanol)
Boiling Point
154.00 °C. @ 25.00 mm Hg
154 °C (25 mm Hg)
Melting Point41.5 °C
Physical Description
Solid
Yellowish crystals
Physicochemical properties
- Melting point
- 40 · 40-42℃
- Boiling point
- 267 ℃ · 267℃
- Density
- 1.015 · 1.015
- Flash point
- 94 ℃ · 94℃
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
Safety & regulation
Hazard information
Regulatory Information
Chemical: 2-Propenal, 3-(4-methylphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(4-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- hs_code
- 2912290090
- risk_code
- 36/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
Usesp-Methylcinnamaldehyde is a useful research chemical used in organic synthesis and other chemical processes.
Suppliers67 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波万核化学科技有限公司+86-15827200700 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Related reactions
3 records
Compound notes
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