2-Ethoxy-5-methylpyrazine
PubChem CID
105758
Structure
Molecular Formula
Synonyms
- 2-Ethoxy-5-methylpyrazine
- 67845-34-5
- 2-Methyl-5-ethoxypyrazine
- 5-Ethoxy-2-methylpyrazine
- Pyrazine, 5-ethoxy-2-methyl
Molecular Weight
138.17 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Description
2-Ethoxy-5-methylpyrazine is an aromatic ether.
Chemical Structure Depiction
2-ethoxy-5-methylpyrazine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C7H10N2O/c1-3-10-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
MGDMTRSONRZXOH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCOC1=NC=C(N=C1)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C7H10N2O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
67845-34-5
- 2-Ethoxy-5-methylpyrazine
- 67845-34-5
- 2-Methyl-5-ethoxypyrazine
- 5-Ethoxy-2-methylpyrazine
- Pyrazine, 5-ethoxy-2-methyl
- Pyrazine, 2-ethoxy-5-methyl-
- 8TD8256VKE
- UNII-8TD8256VKE
- EINECS 267-309-2
- PYRAZINE,2-ETHOXY-5-METHYL-
- 2-Ethoxy-5-methyl-Pyrazine
- SCHEMBL7941732
- DTXSID2070687
- CHEBI:193649
- AKOS006272102
- FEMA NO. 3569, 5-ETHOXY
- NS00036219
- W-104699
- Q27270989
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
138.17 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
0.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
138.079312947 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
138.079312947 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
35 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
97.6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
189.00 to 191.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Standard non-polar
1047 , 1047
Standard polar
1418 , 1418
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- Cytoplasm
- Extracellular
EPA TSCA Commercial Activity Status
Pyrazine, 2-ethoxy-5-methyl-: INACTIVE
Chemical Assessment
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MGDMTRSONRZXOH-UHFFFAOYSA-N
- Australian Industrial Chemicals Introduction Scheme (AICIS)Pyrazine, 2-ethoxy-5-methyl-https://services.industrialchemicals.gov.au/search-assessments/Pyrazine, 2-ethoxy-5-methyl-https://services.industrialchemicals.gov.au/search-inventory/
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-Ethoxy-5-methylpyrazinehttps://commonchemistry.cas.org/detail?cas_rn=67845-34-5
- ChemIDplus2-Methyl-5-ethoxypyrazinehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0067845345ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCAPyrazine, 2-ethoxy-5-methyl-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox2-Ethoxy-5-methylpyrazinehttps://comptox.epa.gov/dashboard/DTXSID2070687CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice2-ethoxy-5-methylpyrazinehttps://echa.europa.eu/substance-information/-/substanceinfo/100.061.171
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking2-METHYL-5-ETHOXYPYRAZINEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/8TD8256VKE
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing2-Ethoxy-5-methylpyrazinehttp://www.hmdb.ca/metabolites/HMDB0040142
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/
- ChEBI2-Ethoxy-5-methylpyrazinehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:193649
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench2-Ethoxy-5-methylpyrazinehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48855
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawPyrazine, 5-ethoxy-2-methylhttp://www.nist.gov/srd/nist1a.cfm
- Wikidata2-methyl-5-ethoxypyrazinehttps://www.wikidata.org/wiki/Q27270989
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 392069287https://pubchem.ncbi.nlm.nih.gov/substance/392069287
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