Nonanoic acid,2-propen-1-yl ester
Product Information
Molecular Formula
C12H22 O2
Molecular Weight
198.31
Description
Allyl nonanoate is a clear very slightly yellow liquid with a fruity odor.
Synonyms
FEMA 2036; ALLYL NONANOATE; ALLYL PELARGONATE; Allyl n-nonanoate; Nonanoic acid, 2-propenyl ester; Nonanoic acid, allyl ester; Nonanoicacid,2-propenylester; allyl nonan-1-oate
IUPAC Name
prop-2-enyl nonanoate
SMILES
CCCCCCCCC(=O)OCC=C
InChI
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
InChI Key
MFLWLDDOGSNSKO-UHFFFAOYSA-N
Boiling Point
151 °C/50 mmHg
Flash Point
103 °C
Purity
>97.0%(GC)
Density
0.878 g/mL at 25 °C(lit.)
Solubility
less than 1 mg/mL at 68 °F
Appearance
Clear very slightly yellow liquid with a fruity odor.
Refractive Index
1.43
LogP
4.656 (est)
Safety Information
Hazards
H315 H319
Precautionary Statement
P264 P280 P302 + P352 P337 + P313 P305 + P351 + P338 P362+P364 P332 + P313
Computed Properties
XLogP3
4.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
10
Exact Mass
198.161979940 g/mol
Monoisotopic Mass
198.161979940 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
152
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113278608-A | Chloroform substitute reagent for nucleic acid extraction and separation | 2021-05-13 |
| EP-3909960-A1 | Process for producing dimethylchlorosilane compound | 2020-05-13 |
| JP-2021178786-A | Method for producing dimethylchlorosilane compound | 2020-05-13 |
| US-2021355145-A1 | Process for producing dimethylchlorosilane compound | 2020-05-13 |
| WO-2020201457-A1 | Methods of diagnosing disease | 2019-04-03 |
| TW-202102684-A | Methods of diagnosing disease | 2019-04-03 |
| AU-2020255035-A1 | Methods of diagnosing disease | 2019-04-03 |
| CN-114040986-A | Method of diagnosing disease | 2019-04-03 |
| EP-3947743-A1 | Methods of diagnosing disease | 2019-04-03 |
| KR-20210149127-A | How to diagnose a disease | 2019-04-03 |
