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Ethyl 2-oxoheptanoate, an organic compound with the chemical formula C9H16O3, is a colorless liquid characterized by a fruity, pineapple-like odor. It is widely recognized for its use as a flavor and fragrance ingredient, offering a sweet, tropical note to a variety of products.

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  • 13088-50-1 Structure
  • Basic information

    1. Product Name: Ethyl 2-oxoheptanoate
    2. Synonyms: 2-Ketoenanthic acid ethyl ester;2-Oxoheptanoic acid ethyl ester;2-Oxyheptanoic acid ethyl ester;Ethyl 2-oxoheptanoate
    3. CAS NO:13088-50-1
    4. Molecular Formula: C9H16O3
    5. Molecular Weight: 172.2215
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 13088-50-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 232℃
    3. Flash Point: 91℃
    4. Appearance: /
    5. Density: 0.969
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Ethyl 2-oxoheptanoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Ethyl 2-oxoheptanoate(13088-50-1)
    11. EPA Substance Registry System: Ethyl 2-oxoheptanoate(13088-50-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 13088-50-1(Hazardous Substances Data)

13088-50-1 Usage

Uses

Used in Food and Beverage Industry:
Ethyl 2-oxoheptanoate is used as a flavoring agent for its distinctive fruity aroma, enhancing the taste and aroma of various food and beverage products.
Used in Perfumery:
In the perfume industry, Ethyl 2-oxoheptanoate serves as a fragrance ingredient, contributing to the creation of scents that capture a tropical essence.
Used as a Solvent in Industrial Processes:
Ethyl 2-oxoheptanoate is utilized as a solvent in various industrial applications, taking advantage of its low toxicity and compatibility with different materials.
Used in Cosmetic Products:
Recognized for its general safety, Ethyl 2-oxoheptanoate is incorporated into cosmetic products, adding a pleasant aroma while ensuring low risk to consumers.

Check Digit Verification of cas no

The CAS Registry Mumber 13088-50-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,0,8 and 8 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 13088-50:
(7*1)+(6*3)+(5*0)+(4*8)+(3*8)+(2*5)+(1*0)=91
91 % 10 = 1
So 13088-50-1 is a valid CAS Registry Number.

13088-50-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 2-oxoheptanoate

1.2 Other means of identification

Product number -
Other names 2-Oxo-heptanoic acid ethyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:13088-50-1 SDS

13088-50-1Relevant articles and documents

Organocatalytic asymmetric transferhydrogenation of β-nitroacrylates: Accessing β2-amino acids

Martin, Nolwenn J. A.,Cheng, Xu,List, Benjamin

supporting information; experimental part, p. 13862 - 13863 (2009/02/06)

We describe a highly efficient and enantioselective Hantzsch ester mediated conjugate reduction of β-nitroacrylates that is catalyzed by a Jacobsen thiourea catalyst as a key step in a new route to optically active β2-amino acids. Copyright

PREPARATION OF IMIDAZOLE DERIVATIVES AND METHODS OF USE

-

Page/Page column 49, (2010/02/14)

This invention relates to imidazole compounds which are useful in promoting smoking cessation and maintaining abstinence.

Investigation on the regioselectivities of intramolecular oxidation of unactivated C-H bonds by dioxiranes generated in Situ

Wong, Man-Kin,Chung, Nga-Wai,He, Lan,Wang, Xue-Chao,Yan, Zheng,Tang, Yeung-Chiu,Yang, Dan

, p. 6321 - 6328 (2007/10/03)

We found that dioxiranes generated in situ from ketones 1-6 and Oxone underwent intramolecular oxidation of unactivated C-H bonds at δ sites of ketones to yield tetrahydropyrans. From the trans/cis ratio of oxidation products 1a and 2a as well as the retention of the configuration at the δ site of ketone 5, we proposed that the oxidation reaction proceeds through a concerted pathway under a spiro transition state. The intramolecular oxidation of ketone 6 showed the preference for a tertiary δ C-H bond over a secondary one. This intramolecular oxidation method can be extended to the oxidation of the tertiary γ′ C-H bond of ketones 9 and 10. For ketone 11 with two δ C-H bonds and one γ′ C-H bond linked respectively by a sp3 hydrocarbon tether and a sp2 ester tether, the oxidation took place exclusively at the δ C-H bonds. Finally, by introducing proper tethers, regioselective hydroxylation of steroid ketones 12-14 have been achieved at the C-17, C-16, C-3, and C-5 positions.

Stereochemical Control on Yeast Reduction of α-Keto Esters. Reduction by Immobilized Bakers' Yeast in Hexane

Nakamura, Kaoru,Inoue, Kiyoko,Ushio, Kazutoshi,Oka, Shinzaburo,Ohno, Atsuyoshi

, p. 2589 - 2593 (2007/10/02)

Ethyl 2-oxoheptanoate has been reduced by three methods: free bakers' yeast (FBY) in water, immobilized bakers' yeast (IMBY) in water, and IMBY in hexane.It has been found that the stereochemistry of reduction of α-keto esters by bakers' yeast is controlled by appropiate choice of reaction conditions.

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