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13048-33-4 molecular structure
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6-(prop-2-enoyloxy)hexyl prop-2-enoate

ChemBase ID: 150928
Molecular Formular: C12H18O4
Molecular Mass: 226.26892
Monoisotopic Mass: 226.12050906
SMILES and InChIs

SMILES:
C=CC(=O)OCCCCCCOC(=O)C=C
Canonical SMILES:
C=CC(=O)OCCCCCCOC(=O)C=C
InChI:
InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2
InChIKey:
FIHBHSQYSYVZQE-UHFFFAOYSA-N

Cite this record

CBID:150928 http://www.chembase.cn/molecule-150928.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(prop-2-enoyloxy)hexyl prop-2-enoate
IUPAC Traditional name
1,6-hexanediol diacrylate
Synonyms
HDODA
1,6-Hexanediol diacrylate
Hexane-1,6-diyl diacrylate
1,6-己二醇二丙烯酸酯
1,6-己二醇 二丙烯酸酯
CAS Number
13048-33-4
EC Number
235-921-9
MDL Number
MFCD00008631
PubChem SID
24854827
162245087
PubChem CID
25644

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25644 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1192842  LogD (pH = 7.4) 3.1192842 
Log P 3.1192842  Molar Refractivity 60.864 cm3
Polarizability 23.894558 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 11  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
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.01 g/mL at 25 °C(lit.) expand Show data source
1.010 expand Show data source
Refractive Index
n20/D 1.456(lit.) expand Show data source
Vapor Pressure
<0.01 mmHg ( 20 °C) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
AT1430000 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
2 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
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
80% expand Show data source
95+% expand Show data source
99% (reactive esters), stab. with 90ppm hydroquinone expand Show data source
Grade
technical grade expand Show data source
Contains
100 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Linear Formula
[H2C=CHCO2(CH2)3-]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 246816 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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