Basic information
- CAS
5462-06-6- Standard SMILES
COc1ccc(CC(C)C=O)cc1- InChIKey
VLFBSPUPYFTTNF-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 2-Methyl-3-(p-methoxyphenyl)propanal
- IUPAC
- 3-(4-methoxyphenyl)-2-methylpropanal
- English name
- 2-Methyl-3-(para-methoxy phenyl)-propanal
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
Show more names
Database identifiers
- CAS
5462-06-6- PubChem CID
- 64813
- DTXSID
DTXSID6044567- UNII
- L7QWJ4USPC
- EC Number
- 226-749-5
- Nikkaji
- J58.401K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 270.46 °C · 270.46°C (rough estimate)
- Density
- 1.0292 · 1.0292 (rough estimate)
- vapor pressure
- 0.3 Pa · 0.3Pa at 24℃
- refractive index
- 1.5103 · 1.5103 (estimate)
- Odor
- 100 % · at 100.00 %. sweet aniseed basil fennel raspberry green
- Odor Type
- anisic
- Water Solubility
- 1.086 g/L · 1.086g/L at 24℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.3 at · 2.3 at 25℃
- FDA UNII
- 7 QWJ4USPC · L7QWJ4USPC
- EPA Substance Registry System
- 4 · Benzenepropanal, 4-methoxy-.alpha.-methyl- (5462-06-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (3 of 1748) of reports.
Warning
H317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H412 (87.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1748 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 1748 reports by companies.;There are 6 notifications provided by 1745 of 1748 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-
Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19498
3-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard
Regulatory information
Regulatory Information
Chemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-
Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19498
3-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
4-Methoxy-alpha-methylbenzenepropanal
4-Methoxy-alpha-methylbenzenepropanal; 4-Methoxy-α-methylbenzenepropanal; 2-Anisylpropional; 2-(p-Anisyl)propanal; Benzenepropanal, 4-methoxy-α-methyl-; Benzenepropanal, 4-methoxy-alpha-methyl-; Hydrocinnamaldehyde, p-methoxy-a-methyl; p-Methoxyhydratropaldehyde; 4-Methoxy-α-methylbenzenepropanal; p-Methoxy-α-methylhydrocinnamaldehyde; p-Methoxy-alpha-methylhydrocinnamaldehyde; 3-(4-Methoxyphenyl)-2-methylpropanal; 3-(p-Methoxyphenyl)-2-methylpropionaldehyde; 2-Methyl-3-(p-methoxyphenyl)propanal; 2-Methyl-3-(4-methoxyphenyl)propionaldehyde; Canthoxal (commercial name); Fennaldehyde (commercial name); Foliaver (commercial name)
IFRA_STD_057.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Restriction Limits in the Finished Product (%)
0.11 [Products applied to the lips]
0.14 [Products applied to the axillae]
0.75 [Products applied to the face/body using fingertips]
2.5 [Products related to fine fragrances]
0.64 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.64 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Suppliers36 total
Related reactions
Compound notes
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