n-Butylbenzene

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MedKoo CAT#: 591602

CAS#: 104-51-8

Description: n-Butylbenzene is a biochemical.


Price and Availability

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Pricing updated 2020-10-27. Prices are subject to change without notice.

n -Butylbenzeneis not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 591602
Name: n-Butylbenzene
CAS#: 104-51-8
Chemical Formula: C10H14
Exact Mass: 134.1096
Molecular Weight: 134.22
Elemental Analysis: C, 89.49; H, 10.51


Synonym: n-Butylbenzene; NSC 8465; NSC-8465; NSC8465

IUPAC/Chemical Name: Butylbenzene

InChi Key: OCKPCBLVNKHBMX-UHFFFAOYSA-N

InChi Code: InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

SMILES Code: CCCCC1=CC=CC=C1


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001


References

1: Morrow BH, Maskey S, Gustafson MZ, Luning Prak DJ, Harrison JA. Impact of Molecular Structure on Properties of n-Hexadecane and Alkylbenzene Binary Mixtures. J Phys Chem B. 2018 Jun 15. doi: 10.1021/acs.jpcb.8b03752. [Epub ahead of print] PubMed PMID: 29856636.

2: Belisario-Lara D, Mebel AM, Kaiser RI. Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates III: Butylbenzene Isomers ( n-, s-, and t-C(14)H(10)). J Phys Chem A. 2018 Apr 26;122(16):3980-4001. doi: 10.1021/acs.jpca.8b01836. Epub 2018 Apr 18. PubMed PMID: 29608299.

3: Blum KM, Haglund P, Gao Q, Ahrens L, Gros M, Wiberg K, Andersson PL. Mass fluxes per capita of organic contaminants from on-site sewage treatment facilities. Chemosphere. 2018 Jun;201:864-873. doi: 10.1016/j.chemosphere.2018.03.058. Epub 2018 Mar 9. PubMed PMID: 29567470.

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5: Gritti F, Fogwill M. Speed-resolution advantage of turbulent supercritical fluid chromatography in open tubular columns: II - Theoretical and experimental evidences. J Chromatogr A. 2017 Jun 9;1501:142-150. doi: 10.1016/j.chroma.2017.04.032. Epub 2017 Apr 19. PubMed PMID: 28434714.

6: Ashraf C, van Duin AC. Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics. J Phys Chem A. 2017 Feb 9;121(5):1051-1068. doi: 10.1021/acs.jpca.6b12429. Epub 2017 Jan 27. PubMed PMID: 28072539.

7: Tabor DP, Hewett DM, Bocklitz S, Korn JA, Tomaine AJ, Ghosh AK, Zwier TS, Sibert EL 3rd. Anharmonic modeling of the conformation-specific IR spectra of ethyl, n-propyl, and n-butylbenzene. J Chem Phys. 2016 Jun 14;144(22):224310. doi: 10.1063/1.4953181. PubMed PMID: 27306010.

8: Cao XL, Sparling M, Dabeka R. Occurrence of 13 volatile organic compounds in foods from the Canadian total diet study. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2016;33(2):373-82. doi: 10.1080/19440049.2015.1129072. Epub 2016 Jan 5. PubMed PMID: 26731690.

9: Marrocco A, Meade BJ, Long CM, Lukomska E, Marshall NB, Anderson SE. Investigations into the Immunotoxicity and Allergic Potential Induced by Topical Application of N-Butylbenzenesulfonamide (NBBS) in a Murine Model. J Toxicol Environ Health A. 2015;78(17):1122-32. doi: 10.1080/15287394.2015.1056898. Epub 2015 Aug 20. PubMed PMID: 26291892; PubMed Central PMCID: PMC4605868.

10: Tan Q, Zhang Z, Yan D. [Gas chromatography for determination of N-butylbenzene in workplace atmosphere]. Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi. 2015 Feb;33(2):146-8. Chinese. PubMed PMID: 25916373.

11: Ito S, Okura M, Nakanishi Y, Ojika M, Wakamatsu K, Yamashita T. Tyrosinase-catalyzed metabolism of rhododendrol (RD) in B16 melanoma cells: production of RD-pheomelanin and covalent binding with thiol proteins. Pigment Cell Melanoma Res. 2015 May;28(3):295-306. doi: 10.1111/pcmr.12363. Epub 2015 Mar 17. PubMed PMID: 25713930.

12: Eljack MD, Wilson RE, Hussam A, Khan SU. Development of an equilibrium headspace gas chromatographic method for the measurement of noncovalent association and partitioning of n-alkylbenzenes at infinite dilution in fulvic acid pseudophase. J Chromatogr A. 2015 Feb 27;1383:1-7. doi: 10.1016/j.chroma.2015.01.021. Epub 2015 Jan 15. PubMed PMID: 25622521.

13: Nakahara H, Kojima Y, Moroi Y, Shibata O. Solubilization of n-alkylbenzenes into gemini surfactant micelles in aqueous medium. Langmuir. 2014 May 27;30(20):5771-9. doi: 10.1021/la501519a. Epub 2014 May 14. PubMed PMID: 24802668.

14: Fanali S, Rocchi S, Chankvetadze B. Use of novel phenyl-hexyl core-shell particles in nano-LC. Electrophoresis. 2013 Jun;34(12):1737-42. doi: 10.1002/elps.201200639. Epub 2013 Apr 26. PubMed PMID: 23423853.

15: Chalansonnet M, Carabin N, Boucard S, Cosnier F, Nunge H, Gagnaire F. Study of the potential oxidative stress induced by six solvents in the rat brain. Neurotoxicology. 2013 Mar;35:71-83. doi: 10.1016/j.neuro.2012.12.002. Epub 2012 Dec 25. PubMed PMID: 23270871.

16: Azimi H, Khakshur AA, Aghdasi I, Fallah-Tafti M, Abdollahi M. A review of animal and human studies for management of benign prostatic hyperplasia with natural products: perspective of new pharmacological agents. Inflamm Allergy Drug Targets. 2012 Jun;11(3):207-21. Review. PubMed PMID: 22512478.

17: Halbert S, Bouchoux G. Isomerization and dissociation of n-butylbenzene radical cation. J Phys Chem A. 2012 Feb 2;116(4):1307-15. doi: 10.1021/jp211673f. Epub 2012 Jan 23. PubMed PMID: 22229805.

18: Camenzuli M, Ritchie HJ, Ladine JR, Shalliker RA. Active flow management in preparative chromatographic separations: a preliminary investigation into enhanced separation using a curtain flow inlet fitting and segmented flow outlet fitting. J Sep Sci. 2012 Feb;35(3):410-5. doi: 10.1002/jssc.201100687. Epub 2012 Jan 9. PubMed PMID: 22228597.

19: Santiuste JM, Quintanilla-López JE, Takács JM, Lebrón-Aguilar R. Behaviour of the isothermal retention indices of n-alkylbenzenes on stationary phases of different polarity. J Chromatogr A. 2012 Jan 27;1222:90-7. doi: 10.1016/j.chroma.2011.12.007. Epub 2011 Dec 9. PubMed PMID: 22197020.

20: Halbert S, Clavaguéra C, Bouchoux G. The shape of gaseous n-butylbenzene: assessment of computational methods and comparison with experiments. J Comput Chem. 2011 Jun;32(8):1550-60. doi: 10.1002/jcc.21733. Epub 2011 Feb 15. PubMed PMID: 21328399.