3-Ethylhexane
Basic information
- CAS
619-99-8- Standard SMILES
CCCC(CC)CC- InChIKey
SFRKSDZMZHIISH-UHFFFAOYSA-N- Molecular formula
- C8H18
- Average molar mass
- 114.23 g/mol
- Monoisotopic mass
- 114.14085057
Overview
3-Ethylhexane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)
Names & identifiers
- Preferred name
- 3-Ethylhexane
- IUPAC
- 3-ethylhexane
- English name
- 3-Ethylhexane
- Molecular formula
- C8H18
- Molecular weight
- 0
Names & synonyms
3-ETHYLHEXANE619-99-8Hexane, 3-ethyl-1,1-diethylbutane3-ethyl-hexane8JH9HL7N4HNSC-74175DTXSID6060713RefChem:93858DTXCID5043186210-621-0InChI=1/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H
Show more names
SFRKSDZMZHIISH-UHFFFAOYSA-NNSC74175EINECS 210-621-0NSC 74175UNII-8JH9HL7N4HSCHEMBL43145SCHEMBL43847SCHEMBL82508
Database identifiers
- CAS
619-99-8- PubChem CID
- 12096
- DTXSID
DTXSID6060713- UNII
- 8JH9HL7N4H
- EC Number
- 210-621-0
- Nikkaji
- J43.428K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 35.3
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
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
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information3-Ethylhexane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
Toxicology
TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Health EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
Exposure RoutesOral (L400) ; inhalation (L400) ; dermal (L400)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)
Uses & manufacturing
UsesOctanes may be found in gasoline. (L1296)
General Manufacturing InformationHexane, 3-ethyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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