p-METHOXY-alpha-METHYLCINNAMALDEHYDE

HCID 228993
NotesReactions

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Basic information

CAS
65405-67-6
Standard SMILES
COc1ccc(C=C(C)C=O)cc1
InChIKey
BNBBFUJNMYQYLA-UHFFFAOYSA-N
Molecular formula
C11H12O2
Average molar mass
176.21 g/mol
Monoisotopic mass
176.08372962

Names & identifiers

Preferred name
p-METHOXY-alpha-METHYLCINNAMALDEHYDE
IUPAC
3-(4-methoxyphenyl)-2-methylprop-2-enal

Names & synonyms

2-Propenal, 3-(4-methoxyphenyl)-2-methyl-3-(4-methoxyphenyl)-2-methylprop-2-enalFEMA No. 3182p-Methoxy-alpha-methylcinnamaldehydealpha-Methyl-4-methoxycinnamaldehydealpha-Methyl p-methoxy cinnamic aldehydeCinnamaldehyde, p-methoxy-alpha-methyl-H6R7854MQEDTXSID70867142NSC 22285NSC-22285p-Methoxy-.alpha.-methylcinnamaldehyde
Show more names
NSC-638172RefChem:858114DTXCID50815348p-methoxy-alpha-methyl cinnamaldehyde.ALPHA.-METHYL-4-METHOXYCINNAMALDEHYDECINNAMALDEHYDE, P-METHOXY-.ALPHA.-METHYL-P-METHOXY-ALPHA-METHYL CINNAMALDEHYDE [FHFI]3-(4-Methoxyphenyl)-2-methylacrylaldehyde

Database identifiers

CAS
65405-67-6
PubChem CID
228993
DTXSID
DTXSID70867142
EC Number
265-737-4

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.989-0.996
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

insoluble in water; insoluble in oils

miscible (in ethanol)

Boiling Point106-109 °C (0.1 mm Hg)
Refractive Index1.625-1.632

Safety & regulation

GHS classification

GHS Classification · 3 items

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 Information · 3 items

Chemical: 2-Propenal, 3-(4-methoxyphenyl)-2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Propenal, 3-(4-methoxyphenyl)-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Propenal, 3-(4-methoxyphenyl)-2-methyl-: ACTIVE

Related reactions

4 records
New reaction record

Compound notes

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