2-Methyl-3-(p-methoxyphenyl)propanal

HCID 64813

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

3-(4-methoxyphenyl)-2-methylpropanal2-Methyl-3-(p-methoxyphenyl)propanal2-(p-Anisyl)propanal2-AnisylpropionalL7QWJ4USPCp-Methoxyhydratropaldehyde2-Methyl-3-(4-methoxyphenyl)propionaldehydeBenzenepropanal, 4-methoxy-.alpha.-methyl-EINECS 226-749-54-Methoxy-alpha-methylbenzenepropanalNSC 22280NSC-22280
Show more names
CANTHOXALFennaldehydeCanthoxaPARAXONALParaxonal/Canthoxalpara-anisyl propanalPARA-METHOXYHYDRATROPALDEHYDE
2-methyl-3-(4-methoxyphenyl)propanalBRN 2443561p-Methoxy-alpha-methylhydrocinnamaldehydeBenzenepropanal, 4-methoxy-alpha-methyl-3-(p-Methoxyphenyl)-2-methylpropionaldehydeHydrocinnamaldehyde, p-methoxy-alpha-methyl-2-Methyl-3-(p-Methoxyphenyl)-propanaldehydeDTXSID6044567

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

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 3 items

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

Hazard Classes and CategoriesSkin Sens. 1 (99.8%);Eye Irrit. 2 (73.8%);Aquatic Chronic 3 (87.9%)

Regulatory information

Regulatory Information · 3 items

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 · 6 items

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

Household ProductsInformation on 8 consumer products that contain 2-Methyl-3-(p-methoxyphenyl)propanal in the following categories is provided:;• Auto Products;• Inside the Home;• Personal Care
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenepropanal, 4-methoxy-.alpha.-methyl-: ACTIVE
Restriction Limits in the Finished Product (%) · 6 items

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]

Related reactions

1 records

Compound notes

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