Skip to Main Content

ACS - Referencing Guide



  • Datasets are compilations of chemical data.
  • There is no standard format for citation. The elements that should be included are:
    • Author
    • Unique and persistent identification
    • Specific version of data cited
  • Citation form and exact elements used in a citation depends on the source where the data was retrieved. For example, data may be sourced from an encyclopedia, a book, a handbook, or a journal article, and should be referenced according to these sources.


Dataset published in a repository

1. Gonzalez Fabra, J. /Extra_Calculations/DFTAnalysis_Concerted_TS_CC/BP86/Reactants/Glycidol Glycidol. ioChem-BD, December 1, 2017. (accessed 2019-07-04).

2. Ezraty, B.; Vergnes, A.; Banzhaf, M.; Duverger, Y.; Huguenot, A.; Brochado, A. R.; Su, S.; Espinosa, L.; Loiseau, L.; Py, B.; et al. Data from: Fe-S cluster Biosynthesis Controls Uptake of Aminoglycosides in a ROS-Less Death Pathway. Dryad Digital Repository, July 1, 2013. DOI: 10.5061/dryad.3062c

Data published in a repository with associated journal article

3. Nielsen, K. F.; Månsson, M.; Rank, C.; Firsvad, J. C.; Larsen, T. O. Dereplication of Microbial Natural Products by LC-DAD-TOFMS. Figshare, February 22, 2016. (accessed 2019-10-07). Data from Nielsen, K. F.; Månsson, M.; Rank, C.; Firsvad, J. C.; Larsen, T. O. Dereplication of Microbial Natural Products by LC-DAD-TOFMS. J. Nat. Prod. 201174 (11), 2338−2348. DOI: 10.1021/np200254t

Database online

4. Caffeine. The Merck Index Online. Royal Society of Chemistry, 2013. (accessed 2019-03-17). (CAS RN: 58-08-2).

5. Caffeine. Reaxys. Elsevier, n.d. (accessed 2019-03-28). (CAS RN: 58-08-2).

Data published in a book

6. Vanadium(V) Oxide. In CRC Handbook of Chemistry and Physics, 93rd ed.; Haynes, W. M., Lide, D. R., Bruno, T. J., Eds.; CRC Press: Boca Raton, FL, 2012; Section 4, p 98. (CAS RN: 1314-62-1).

7. Chase, M. W., Jr. Sodium Bromide. In NIST-JANAF Thermochemical Tables, 4th ed.; Journal of Physical and Chemical Reference Data Monographs, No. 9; American Institute of Physics: Woodbury, NY, 1998; pp 455−458. (accessed 2019-03-27). (CAS RN: 7647-15-6).

Data published in a Journal Article

Acree, W., Jr.; Chickos, J. S. Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies from 1880 to 2015. Part 1. C1−C10J. Phys. Chem. Ref. Data 201645 (3), 33101. DOI: 10.1063/1.4948363

See the All Examples page for examples of in-text and reference list entries for specific resources such as articles, books, datasets and web pages.