2,3,4-Trimethoxy-6-methylbenzaldehyde

HCID 89683CAS 22383-85-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C)c(C=O)c(OC)c1OC
InChIKey
OMDNFMOQYYDECR-UHFFFAOYSA-N
Molecular formula
C11H14O4
Average molar mass
210.23 g/mol
Monoisotopic mass
210.08920893

Names & identifiers

Preferred name
2,3,4-Trimethoxy-6-methylbenzaldehyde
IUPAC
2,3,4-trimethoxy-6-methylbenzaldehyde
English name
2,3,4-Trimethoxy-6-methylbenzaldehyde
Molecular formula
C11H14O4
Molecular weight
210.23

Names & synonyms

2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3EINECS 244-946-4DTXSID20176913RefChem:81327DTXCID9099404244-946-4MFCD00016598Benzaldehyde, 2,3,4-trimethoxy-6-methyl-22838-85-36-Methyl-2,3,4-trimethoxybenzaldehyde2,3,4-Trimethoxy-6-methylbenzaldehyde; 2-Methyl-4,5,6-trimethoxybenzaldehyde; 4,5,6-Trimethoxy-o-tolualdehyde;
Show more names
2,3,4-TRIMETHOXY-6-METHYLBENZALDEHYDE, 99+%1-(4-chlorophenyl)sulfonyl-3-(1-cyclohex-2-enyl)urea
2,3,4-Trimethoxy-6-Methyl-BenzaldehydeSCHEMBL677316SCHEMBL1997249AKOS0158904542-Methyl-4,5,6-trimethoxybenzaldehydeFT71061AS-76439SY333533

Database identifiers

CAS
22383-85-3
PubChem CID
89683
DTXSID
DTXSID20176913
EC Number
244-946-4
Nikkaji
J30.712B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
60 · 60-61 °C
Boiling point
337.9 · 337.9±37.0 °C(Predicted)
Density
1.11 · 1.110
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
form
Solid

Safety & regulation

Safety data

risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Hazard statements
H302-H312-H332
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Chemistry & industry

Applications

Uses2,3,4-Trimethoxy-6-methylbenzaldehyde is a reagent used in the preparation of pyrroloindole derivatives which has antitumor activity.

Upstream & downstream products

Suppliers34 total

珠海奥博凯生物医药技术有限公司400-0628126
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

44 records
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Linked notes

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