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2-Propenoic acid, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester

HCID 106949
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
67905-08-2
Standard SMILES
C=CC(=O)OCC(CC)C(CCC)OC(=O)C=C
InChIKey
IWUXTVVCZZSKON-UHFFFAOYSA-N
Molecular formula
C14H22O4
Average molar mass
254.32 g/mol
Monoisotopic mass
254.15180918

Names & identifiers

Preferred name
2-Propenoic acid, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester
IUPAC
(2-ethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate
English name
2-ethyl-1-propyl-1,3-propanediyl diacrylate
Molecular formula
C14H22O4
Molecular weight
254.32

Names & synonyms

2-Ethyl-1,3-hexanediol diacrylateEINECS 267-628-72-Propenoic acid, 2-ethyl-1-propyl-1,3-propanediyl ester2-Propenoic acid, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) esterRefChem:47908667905-08-22-Ethylhexane-1,3-diyl diacrylate2-Ethyl-1-propyl-1,3-propanediyl diacrylate2-ETHYL-3-(PROP-2-ENOYLOXY)HEXYL PROP-2-ENOATESCHEMBL29670986DTXSID40923603IWUXTVVCZZSKON-UHFFFAOYSA-N
Show more names
Bisacrylic acid 2-ethyl-1-propyl-1,3-propanediyl ester
NS000534022-Ethyl-3-[(prop-2-enoyl)oxy]hexyl prop-2-enoate

Database identifiers

CAS
67905-08-2
PubChem CID
106949
DTXSID
DTXSID40923603
EC Number
267-628-7
Nikkaji
J287.665E

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
18
Formal charge
0
Complexity
296

Physicochemical properties

Boiling point
319.762 · 319.762±15.00 °C(Press: 760.00 Torr)(predicted)
Density
0.988 · 0.988±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
EPA Substance Registry System
2 · 2-Ethyl-1,3-hexanediol diacrylate (67905-08-2)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propenoic acid, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester: INACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes