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32723-67-4 molecular structure
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4-methoxy-3-methylbenzaldehyde

ChemBase ID: 50098
Molecular Formular: C9H10O2
Molecular Mass: 150.1745
Monoisotopic Mass: 150.06807956
SMILES and InChIs

SMILES:
c1(c(ccc(c1)C=O)OC)C
Canonical SMILES:
O=Cc1ccc(c(c1)C)OC
InChI:
InChI=1S/C9H10O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3
InChIKey:
MYLBIQHZWFWSMH-UHFFFAOYSA-N

Cite this record

CBID:50098 http://www.chembase.cn/molecule-50098.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-3-methylbenzaldehyde
IUPAC Traditional name
3-methyl-4-methoxybenzaldehyde
Synonyms
4-Methoxy-3-methylbenzaldehyde
3-Methyl-p-anisaldehyde
4-Methoxy-3-methylbenzladehyde
3-methyl-4-methoxybenzaldehyde
4-Methoxy-3-methylbenzaldehyde
3-Methyl-p-anisaldehyde
4-Methoxy-3-methylbenzaldehyde
4-甲氧基-3-甲基苯甲醛
3-甲基-对茴香醛
3-甲基-对茴香醛
4-甲氧基-3-甲基苯甲醛
CAS Number
32723-67-4
EC Number
251-177-8
MDL Number
MFCD00003375
Beilstein Number
2084045
PubChem SID
162054861
24884314
24849201
PubChem CID
122936

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0414982  LogD (pH = 7.4) 2.0414982 
Log P 2.0414982  Molar Refractivity 44.1464 cm3
Polarizability 16.501444 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
80-85 °C/1 mmHg(lit.) expand Show data source
80-85°C/1mm expand Show data source
Flash Point
112 °C expand Show data source
112°C expand Show data source
233.6 °F expand Show data source
Density
1.025 expand Show data source
1.025 g/mL at 25 °C(lit.) expand Show data source
1.098 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.569 expand Show data source
n20/D 1.569 expand Show data source
n20/D 1.569(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
CH3C6H3(OCH3)CHO expand Show data source
Empirical Formula (Hill Notation)
C9H10O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 152129 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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