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3524-68-3 molecular structure
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3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate

ChemBase ID: 150960
Molecular Formular: C14H18O7
Molecular Mass: 298.28852
Monoisotopic Mass: 298.10525292
SMILES and InChIs

SMILES:
C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
Canonical SMILES:
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO
InChI:
InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2
InChIKey:
HVVWZTWDBSEWIH-UHFFFAOYSA-N

Cite this record

CBID:150960 http://www.chembase.cn/molecule-150960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate
IUPAC Traditional name
pentaerythrityl triacrylate
Synonyms
PETA
Pentaerythritol triacrylate
Pentaerythritol triacrylate, stab. with 300-400ppm 4-methoxyphenol
2-((Acryloyloxy)methyl)-2-(hydroxymethyl)propane-1,3-diyl diacrylate
季戊四醇三丙烯酸酯
季戊四醇三丙烯酸酯, 300-400ppm 4-甲氧基苯酚做稳定剂
CAS Number
3524-68-3
EC Number
222-540-8
MDL Number
MFCD00009607
Beilstein Number
6598752
PubChem SID
24854825
162245119
PubChem CID
19042

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19042 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.8948765  H Acceptors
H Donor LogD (pH = 5.5) 1.5536687 
LogD (pH = 7.4) 1.5536687  Log P 1.5536687 
Molar Refractivity 73.1253 cm3 Polarizability 28.823357 Å3
Polar Surface Area 99.13 Å2 Rotatable Bonds 13 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Flash Point
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
1.16-1.19 expand Show data source
1.18 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.484 expand Show data source
n20/D 1.483(lit.) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
UD3370000 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
1 expand Show data source
Risk Statements
36/38-43 expand Show data source
Safety Statements
39 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-H317-H319 expand Show data source
H315-H319-H317 expand Show data source
GHS Precautionary statements
P261-P280-P305+P351+P338-P302+P352-P321-P501A expand Show data source
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
Purity
95+% expand Show data source
Grade
technical grade expand Show data source
Contains
300-400 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Linear Formula
(H2C=CHCO2CH2)3CCH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 246794 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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