Basic information
- CAS
68083-55-6- Standard SMILES
Cc1ccc(CC=O)c(C)c1- InChIKey
OVRAXHLRVJRNPG-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- Benzeneacetaldehyde, 2,4-dimethyl-
- IUPAC
- 2-(2,4-dimethylphenyl)acetaldehyde
- English name
- 2,4-dimethylphenylacetaldehyde
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
68083-55-6Benzeneacetaldehyde, 2,4-dimethyl-2,4-DimethylphenylacetaldehydeEINECS 268-404-1DTXSID3071064RefChem:562803DTXCID7045497268-404-12-(2,4-dimethylphenyl)acetaldehyde(2,4-dimethylphenyl)acetaldehyde2,4-DimethylbenzeneacetaldehydeSCHEMBL1758623
Show more names
SCHEMBL2561411T6GGP35E28SCHEMBL311762342,4-dimethyl phenyl acetaldehydeOVRAXHLRVJRNPG-UHFFFAOYSA-NAKOS012096269CS-0247296NS00036395
Database identifiers
- CAS
68083-55-6- PubChem CID
- 106522
- DTXSID
DTXSID3071064- UNII
- T6GGP35E28
- EC Number
- 268-404-1
- Nikkaji
- J289.015A
Properties
Computed structural properties
- XLogP
- 2
- 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
- 131
Physicochemical properties
- LogP
- 2.754 · 2.754 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Benzeneacetaldehyde, 2,4-dimethyl- (68083-55-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzeneacetaldehyde, 2,4-dimethyl-
Other Safety InformationIMAP assessments - Benzeneacetaldehyde, 2,4-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetaldehyde, 2,4-dimethyl-: INACTIVE
Applications
UsesThis aldehyde has been suggested for use in perfumery as a modifier for Phenylacetaldehyde in floral fragrances, where a green note is acceptable or desirable. It does not have the penetrating power of Phenylacetaldehyde, but it is sweeter, more floral, less gassy and more tenacious. It is also somewhat more stable towards polymerization.
Preparation methods
Preparation(1) from 2,4-Dimcthyl phenylglycidic acid by decarboxylation.(2) from 2,4-Dimethylbenzaldehyde plus Ethyl monochloroacetate via glycidate to the 2,4-dimethylphenylacetaldehyde.
Suppliers3 total
南京世洲生物科技有限公司13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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