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Basic information
- CAS
27247-96-7- Standard SMILES
CCCCC(CC)CO[N+](=O)[O-]- InChIKey
NKRVGWFEFKCZAP-UHFFFAOYSA-N- Molecular formula
- C8H17NO3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.1208434
Names & identifiers
- Preferred name
- 2-Ethylhexyl nitrate
- IUPAC
- 2-ethylhexyl nitrate
- English name
- 2-Ethylhexyl nitrate
- Molecular formula
- C8H17NO3
- Molecular weight
- 175.23
Names & synonyms
2-Ethylhexyl nitrate27247-96-7NITRIC ACID, 2-ETHYLHEXYL ESTEREthylhexyl nitrateDTXSID1027928R11MG529ITDTXCID307928RefChem:471998248-363-6682-688-82-Ethylhexylnitrate2-Ethyl-1-hexyl nitrate
Show more names
2-EHNnitronal2-ethylhexylester2-Ethylhexylniethylhexylnitrate2-EthylhexylnitratCetane number improver2-ETHYL-HEXYL-1-NITRATENitricacid,2-ethylhexylester
EINECS 248-363-6UNII-R11MG529ITEC 248-363-6MIAKRON 2000SCHEMBL151219CHEMBL401411HITEC 4348Tox21_303382
Database identifiers
- CAS
27247-96-7- PubChem CID
- 62823
- DTXSID
DTXSID1027928- ChEMBL
CHEMBL401411- UNII
- R11MG529IT
- EC Number
- 248-363-6、682-688-8
- Nikkaji
- J154.004A
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
Vapor Pressure0.03 [mmHg]
Physical Description
Liquid
Light yellow liquid with a pleasant odor; [CAMEO] Colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index1145；1145
Physicochemical properties
- Boiling point
- 306.53 °C · 306.53°C (rough estimate)
- Density
- 0.963 g/mL · 0.963 g/mL at 25 °C(lit.)
- vapor pressure
- 27 Pa · 27Pa at 20℃
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 168 °F · 168 °F
- Odor
- Fruity, pungent, ester, characteristic
- Water Solubility
- 12.5 mg/L · 12.5mg/L at 20℃
- Decomposition
- 100 ℃ · >100℃
- Stability
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.1% (1 of 788) of reports.
Warning
H302+H312+H332 (19.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (99.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (99.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H400 (21.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (21.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (76.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 788 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 788 reports by companies.；There are 16 notifications provided by 787 of 788 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Nitric acid, 2-ethylhexyl ester
Nitric acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nitric acid, 2-ethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Chemistry & industry
Uses & manufacturing
UsesUsed in chemical manufacture; [CAMEO] Used as a diesel fuel additive and solvent; [REPROTOX] Used as an additive in diesel fuels to improve ignition and raise the cetane number; [EPA ChAMP: Submission]
U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 700,000 - <850,000 lb；2021: 10,000,000 - <25,000,000 lb；2020: 10,000,000 - <25,000,000 lb
Consumer UsesFuel agents
Industry UsesFuel agents
Household ProductsInformation on 6 consumer products that contain 2-Ethylhexyl nitrate in the following categories is provided:；• Auto Products
General Manufacturing Information
Petroleum Refineries；Petroleum Lubricating Oil and Grease Manufacturing
Nitric acid, 2-ethylhexyl ester: ACTIVE
Applications
Uses2-Ethylhexyl nitrate (2-EHN) is a major fuel additive, has been used to increase the cetane number of diesel.
General DescriptionBiodegradation of 2-ethylhexyl nitrate (2-EHN) by Mycobacterium austroafricanum IFP 2173 has been studied. Biodegradation of 2-EHN was studied in biphasic liquid cultures using an inert non-aqueous phase liquid such as 2,2,4,4,6,8,8-heptamethylnonane as solvent.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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