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613-69-4 molecular structure
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2-ethoxybenzaldehyde

ChemBase ID: 110265
Molecular Formular: C9H10O2
Molecular Mass: 150.1745
Monoisotopic Mass: 150.06807956
SMILES and InChIs

SMILES:
CCOc1ccccc1C=O
Canonical SMILES:
CCOc1ccccc1C=O
InChI:
InChI=1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3
InChIKey:
DUVJMSPTZMCSTQ-UHFFFAOYSA-N

Cite this record

CBID:110265 http://www.chembase.cn/molecule-110265.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethoxybenzaldehyde
IUPAC Traditional name
benzaldehyde, 2-ethoxy-
Synonyms
2-Ethoxy benzaldehyde
o-ETHOXYBENZALDEHYDE
2-Ethoxybenzaldehyde
2-Ethoxybenzaldehyde
2-乙氧基苯甲醛
CAS Number
613-69-4
EC Number
210-349-2
MDL Number
MFCD00003316
Beilstein Number
1937270
PubChem SID
162095594
24849367
PubChem CID
11950

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8848848  LogD (pH = 7.4) 1.8848848 
Log P 1.8848848  Molar Refractivity 43.8538 cm3
Polarizability 16.580048 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
136-138 °C/24 mmHg(lit.) expand Show data source
249°C expand Show data source
Flash Point
197.6 °F expand Show data source
91°C(195°F) expand Show data source
92 °C expand Show data source
Density
1.074 g/mL at 25 °C(lit.) expand Show data source
1.077 expand Show data source
Refractive Index
1.5430 expand Show data source
n20/D 1.543(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97% expand Show data source
97% expand Show data source
97+% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C2H5OC6H4CHO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214314 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 153729 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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