Allyl cinnamate
Product Information
Molecular Formula
C12H12O2
Molecular Weight
188.23
Description
Allyl cinnamate is a cinnamate ester.
Synonyms
2-Propenoic acid, 3-phenyl-, 2-propenyl ester, ALLYL CINNAMATE, CINNAMIC ACID, ALLYL ESTER
IUPAC Name
prop-2-enyl (E)-3-phenylprop-2-enoate
SMILES
C=CCOC(=O)C=CC1=CC=CC=C1
InChI
InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+
InChI Key
KCMITHMNVLRGJU-CMDGGOBGSA-N
Boiling Point
272.90 C (EPI 4.0)
Flash Point
156 °C
Purity
98.0%
Density
1.06
Solubility
Insoluble in water; soluble in alcohol.
Appearance
colorless to light yellow liquid
Shelf Life
60 months from manufacture date
Storage
Store tightly sealed under inert gas in a cool, well-ventilated area.
Refractive Index
1.565 : 1.569 at 20 deg C
Safety Information
Hazards
H302
Precautionary Statement
P501 P270 P264 P301 + P312 + P330
Computed Properties
XLogP3
3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
188.083729621 g/mol
Monoisotopic Mass
188.083729621 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
212
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-112987372-A | Multilayer liquid crystal writing board prepared by prism method and preparation method thereof | 2021-02-22 |
| US-11033516-B1 | Combination therapies with disulfiram | 2020-09-18 |
| US-11065214-B1 | Combination therapies with disulfiram | 2020-09-18 |
| CN-111983844-A | Polymer dispersed liquid crystal film based on liquid crystal physical gel and preparation method thereof | 2020-08-30 |
| CN-112034644-A | Gel-stabilized liquid crystal writing board film and preparation method thereof | 2020-08-30 |
| US-2021145714-A1 | Personal care compositions for treating odor causing bacteria and methods for the same | 2019-11-14 |
| WO-2021096518-A1 | Personal care compositions for treating odor causing bacteria and methods for the same | 2019-11-14 |
| WO-2021073393-A1 | Phosphorescent host material and application thereof | 2019-10-18 |
| WO-2021052339-A1 | Multi-component composition | 2019-09-20 |
| WO-2020239954-A1 | Arthropod control compositions | 2019-05-31 |
