2-Ethylhexyl nitrate - CAS 27247-96-7
Catalog: |
BB019507 |
Product Name: |
2-Ethylhexyl nitrate |
CAS: |
27247-96-7 |
Synonyms: |
2-ethylhexyl nitrate |
IUPAC Name: | 2-ethylhexyl nitrate |
Description: | 2-Ethylhexyl nitrate (CAS# 27247-96-7 ) is a useful research chemical. |
Molecular Weight: | 175.23 |
Molecular Formula: | C8H17NO3 |
Canonical SMILES: | CCCCC(CC)CO[N+](=O)[O-] |
InChI: | InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3 |
InChI Key: | NKRVGWFEFKCZAP-UHFFFAOYSA-N |
Boiling Point: | 210.9 °C at 760 mmHg |
Melting Point: | 75 °C |
Purity: | 95 % |
Density: | 0.963 g/cm3 |
Appearance: | Solid |
LogP: | 2.93430 |
Vapor Pressure: | 0.03 [mmHg] |
GHS Hazard Statement: | H302 (94.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111965180-A | Quantitative detection method for alkyl nitrate in diesel oil | 20200828 |
JP-2020164826-A | Fuel oil composition | 20200319 |
WO-2021184104-A1 | Process for converting biosourced triglycerides into a single-phase composition containing fatty acid ester and related uses as biofuel or lubricant | 20200317 |
JP-2021138814-A | Anti-wear composition and fuel oil composition containing it | 20200304 |
CN-111286377-A | Diesel oil environment-friendly additive and clean diesel oil | 20200219 |
PMID | Publication Date | Title | Journal |
21656679 | 20110701 | Determination of 2-ethylhexyl nitrate in diesel fuel | Journal of separation science |
19840846 | 20091201 | Proteomic investigation of enzymes involved in 2-ethylhexyl nitrate biodegradation in Mycobacterium austroafricanum IFP 2173 | Research in microbiology |
18568432 | 20090201 | Biodegradability of 2-ethylhexyl nitrate (2-EHN), a cetane improver of diesel oil | Biodegradation |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.12084340 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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