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120750-67-6 molecular structure
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4-[(4-hydroxyphenyl)methyl]phenol; ethane-1,2-diol; prop-2-enoic acid

ChemBase ID: 147310
Molecular Formular: C18H22O6
Molecular Mass: 334.36368
Monoisotopic Mass: 334.14163842
SMILES and InChIs

SMILES:
C=CC(=O)O.c1cc(ccc1Cc1ccc(cc1)O)O.C(CO)O
Canonical SMILES:
Oc1ccc(cc1)Cc1ccc(cc1)O.C=CC(=O)O.OCCO
InChI:
InChI=1S/C13H12O2.C3H4O2.C2H6O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-2-3(4)5;3-1-2-4/h1-8,14-15H,9H2;2H,1H2,(H,4,5);3-4H,1-2H2
InChIKey:
OTXNLBPVRKDFKX-UHFFFAOYSA-N

Cite this record

CBID:147310 http://www.chembase.cn/molecule-147310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(4-hydroxyphenyl)methyl]phenol; ethane-1,2-diol; prop-2-enoic acid
IUPAC Traditional name
acrylic acid; bis(4-hydroxyphenyl)methane; ethylene glycol
Synonyms
Bisphenol F ethoxylate (2 EO/phenol) diacrylate
双酚 F 乙氧酸(2 EO/苯基)二丙烯酸
CAS Number
120750-67-6
MDL Number
MFCD02097753
PubChem SID
24873080
162241500
PubChem CID
16213669

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
496731 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213669 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.839896  H Acceptors
H Donor LogD (pH = 5.5) 3.4578896 
LogD (pH = 7.4) 3.4563425  Log P 3.457909 
Molar Refractivity 59.757 cm3 Polarizability 22.901043 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.15 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.541(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H317-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Contains
100 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Mol. Weight
average Mn ~484 expand Show data source
Linear Formula
[H2C=CHCO2(CH2CH2O)nC6H4-4-]2CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 496731 external link
Packaging
100 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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