3-(p-Methylphenyl)propanal
Basic information
- CAS
5406-12-2- Standard SMILES
Cc1ccc(CCC=O)cc1- InChIKey
ABGZWIFTZXUDGF-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 3-(p-Methylphenyl)propanal
- IUPAC
- 3-(4-methylphenyl)propanal
- English name
- 3-(4-Methylphenyl)propionaldehyde
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
5406-12-2Benzenepropanal, 4-methyl-3-(4-methylphenyl)propanal3-(4-METHYLPHENYL)PROPIONALDEHYDEp-Methylhydrocinnamic aldehydeHydrocinnamaldehyde, p-methyl-3-p-Tolylpropionaldehyde3-(p-Methylphenyl)propanal4-Methylbenzenepropanal1RMD883W6C3-(P-TOLYL)PROPIONALDEHYDENSC 5304
Show more names
CRESYLPROPIONALDEHYDE3-p-Tolylpropionaldehyd4-methyl-benzenepropana4-methyl-Benzenepropanal3-P-TOLYL-PROPIONALDEHYDE4-METHYLHYDROCINNAMALDEHYDEp-Methylhydrocinnamicaldehyde4-Methylbenzenepropionaldehyde
NSC-5304EINECS 226-460-43-P-TOLYLPROPANALDTXSID2063844RefChem:495793DTXCID3041582Hydrocinnamaldehyde, p-methyl-(8CI)3-(p-tolyl)propanal
Database identifiers
- CAS
5406-12-2- PubChem CID
- 64812
- DTXSID
DTXSID2063844- UNII
- 1RMD883W6C
- EC Number
- 226-460-4
- Nikkaji
- J217.968G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
FragrancesFragrance substance (p-Methylhydrocinnamic aldehyde) -> IFRA amendment 43
Physicochemical properties
- Boiling point
- 223 °C · 223°C (estimate)
- Density
- 0.999 · 0.9990
- refractive index
- 1.525 · 1.5250 (estimate)
- solubility
- Insoluble in water, soluble in alcohol and oils.
- Odor
- 1 % · at 1.00 % in dipropylene glycol. heliotrope lily lilac
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.58 · 2.580
- FDA UNII
- 1 RMD883W6C · 1RMD883W6C
- EPA Substance Registry System
- 4 · Benzenepropanal, 4-methyl- (5406-12-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 248 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzenepropanal, 4-methyl-
Other Safety InformationIMAP assessments - Benzenepropanal, 4-methyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
p-Methylhydrocinnamic aldehyde
Benzenepropanal, 4-methyl; p-Methyldihydrocinnamaldehyde; p-Methylhydrocinnamaldehyde; 3-(4-Methylphenyl)propanal; 3-p-Tolylpropionaldehyde
IFRA_STD_164.pdf
43
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing InformationBenzenepropanal, 4-methyl-: INACTIVE
Applications
Uses3-(4-METHYLPHENYL)PROPIONALDEHYDE has been suggested for use in perfume compositions as a supporting floral or floral-balsamic or floral-spicy ingredient in Oriental fragrance types, Sweet Pea, Frangipanni, etc. or in various Fantasy fragrance types. It blends well with the Ionones, Amylsalicylate, Ylang-Ylang, Cinnamic alcohol, etc. and gives interesting depth to a Lilac, with its more delicate notes, generally preferred over Anisaldehyde or similar, harsh odorants.
Related reactions
7 records
Compound notes
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