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111-80-8

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111-80-8 Usage

Description

Methyl 2-nonynoate has a characteristic violet-like odor with a sweet taste reminiscent of fresh peach, unripe banana, and cucumber peel. May be prepared from 2-octene by way of 1-octyne and octyne carboxylic acid.

Chemical Properties

Different sources of media describe the Chemical Properties of 111-80-8 differently. You can refer to the following data:
1. Methyl 2-nonynoate has a characteristic violet-like odor and a sweet taste reminiscent of fresh peach, unripe banana and cucumber peel.
2. Both methyl 2- nonynoate and methyl 2-octynoate have a triple bond and are liquids with a fatty, violet-leaf-like odor.They are used in perfume compositions.

Occurrence

Has apparently not been reported to occur in nature

Preparation

From 2-octene by way of 1-octyne and octyne carboxylic acid.

Synthesis Reference(s)

The Journal of Organic Chemistry, 54, p. 1831, 1989 DOI: 10.1021/jo00269a017Tetrahedron Letters, 24, p. 5181, 1983 DOI: 10.1016/S0040-4039(00)88391-4

Contact allergens

This perfumed molecule is related to methyl heptine carbonate. Cross-reactivity is frequent.

Check Digit Verification of cas no

The CAS Registry Mumber 111-80-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 1 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 111-80:
(5*1)+(4*1)+(3*1)+(2*8)+(1*0)=28
28 % 10 = 8
So 111-80-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3

111-80-8 Well-known Company Product Price

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  • Alfa Aesar

  • (B21409)  Methyl 2-nonynoate, 98%   

  • 111-80-8

  • 25g

  • 629.0CNY

  • Detail
  • Alfa Aesar

  • (B21409)  Methyl 2-nonynoate, 98%   

  • 111-80-8

  • 100g

  • 2007.0CNY

  • Detail
  • Alfa Aesar

  • (B21409)  Methyl 2-nonynoate, 98%   

  • 111-80-8

  • 500g

  • 8042.0CNY

  • Detail

111-80-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl non-2-ynoate

1.2 Other means of identification

Product number -
Other names 2-Nonynoic acid, methyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fragrances
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:111-80-8 SDS

111-80-8Relevant articles and documents

Electrochemical selective incorporation of CO2 into terminal alkynes and diynes

Ko?ster, Frank,Dinjus, Erkhardt,Din?ach, Elisabet

, p. 2507 - 2511 (2001)

Electrochemical incorporation of CO2 into terminal alkynes and diynes on silver cathodes occurred selectively, to afford monocarboxylic acid derivatives in good yields. The electrolyses were carried out in one-compartment cells fitted with magnesium anodes, under mild conditions.

Understanding the mechanism of transition metal-free: Anti addition to alkynes: The selenoboration case

García-López, Diego,Civit, Marc G.,Vogels, Christopher M.,Ricart, Josep M.,Westcott, Stephen A.,Fernández, Elena,Carbó, Jorge J.

, p. 3617 - 3628 (2018/07/29)

The stereoselective anti-addition of selenoboranes to α,β-acetylenic esters and amides was achieved in a transition metal-free context using catalytic amounts of PCy3. The reaction provides anti-3,4-selenoboration with concomitant delivery of α-vinyl selenides by protodeboronation with MeOH. Interestingly, in the absence of phosphine the selenoboration switches towards the formation of β-vinyl selenides. Theoretical calculations rationalize the regio- and stereoselectivity of the reaction by discovering a new mechanism for the anti-3,4-selenoboration. While the selenoborane is activated via the "push-pull" effect of B, the phosphine interacts with the β position of the alkynoate switching the polarity of the triple bond and favoring 1,3-selenoboration which provides the α-addition of the selenyl group. Then, the autocatalytic action of a second selenoborane reagent, which coordinates to the phosphorus ylide intermediate, determines the stereoselectivity and completes the catalytic process. Finally, the comparison of selenoborane reagents with diboranes and silaboranes, which have exhibited analogous reactivity, shows that the selenium moiety has a larger nucleophilic character favoring the performance of the reaction under mild conditions.

CuI/Pd0 cooperative dual catalysis: Tunable stereoselective construction of tetra-substituted alkenes

Vercruysse, Sebastien,Cornelissen, Loic,Nahra, Fady,Collard, Laurent,Riant, Olivier

supporting information, p. 1834 - 1838 (2014/03/21)

This paper describes a tunable and stereoselective dual catalytic system that uses copper and palladium reagents. This cooperative silylcupration and palladium-catalyzed allylation readily affords trisubstituted alkenylsilanes. Fine-tuning the reaction conditions allows selective access to one stereoisomer over the other. This new methodology tolerates different substituents on both coupling partners with high levels of stereoselectivity. The one-pot reaction involving a CuI/Pd0 cooperative dual catalyst directly addresses the need to develop more time-efficient and less-wasteful synthetic pathways.

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