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24019-66-7 molecular structure
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2-hydroxy-3-(prop-2-en-1-yl)benzaldehyde

ChemBase ID: 16560
Molecular Formular: C10H10O2
Molecular Mass: 162.1852
Monoisotopic Mass: 162.06807956
SMILES and InChIs

SMILES:
c1(c(c(ccc1)C=O)O)CC=C
Canonical SMILES:
C=CCc1cccc(c1O)C=O
InChI:
InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2-3,5-7,12H,1,4H2
InChIKey:
INLWEXRRMUMHKB-UHFFFAOYSA-N

Cite this record

CBID:16560 http://www.chembase.cn/molecule-16560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-3-(prop-2-en-1-yl)benzaldehyde
IUPAC Traditional name
2-hydroxy-3-(prop-2-en-1-yl)benzaldehyde
Synonyms
3-Allylsalicylaldehyde
3-Allyl-2-hydroxybenzaldehyde
3-Allyl-2-hydroxy-benzaldehyde
3-Allylsalicylaldehyde
3-Allyl-2-hydroxybenzaldehyde
3-烯丙基-2-羟基苯甲醛
3-烯丙基水杨醛
CAS Number
24019-66-7
MDL Number
MFCD00037364
PubChem SID
24882772
160979867
PubChem CID
141062

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.210638  H Acceptors
H Donor LogD (pH = 5.5) 3.129915 
LogD (pH = 7.4) 3.0687966  Log P 3.1307535 
Molar Refractivity 48.9102 cm3 Polarizability 18.107077 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
45°C expand Show data source
Flash Point
106 °C expand Show data source
106.7°C expand Show data source
107°C(225°F) expand Show data source
222.8 °F expand Show data source
Density
1.099 expand Show data source
1.099 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5645 expand Show data source
n20/D 1.5645 expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Irritant 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 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
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
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
CH2=CHCH2C6H3(OH)CHO expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR7500T external link
A synthetic intermediate for flavone synthesis.
Sigma Aldrich - 636339 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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