Nonanoic acid,2-propen-1-yl ester

Inquiry

Molecular Formula:

C12H22 O2

Molecular Weight:

198.31

CAS Number:

7493-72-3

Catalog Number:

7493-72-3

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.161979940 g/mol

Monoisotopic Mass

198.161979940 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

152

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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