3-Ethyl-3-methylpentane
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Basic information
- CAS
1067-08-9- Standard SMILES
CCC(C)(CC)CC- InChIKey
GIEZWIDCIFCQPS-UHFFFAOYSA-N- Molecular formula
- C8H18
- Average molar mass
- 114.23 g/mol
- Monoisotopic mass
- 114.14085057
Overview
3-Ethyl-3-methylpentane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)
Names & identifiers
- Preferred name
- 3-Ethyl-3-methylpentane
- IUPAC
- 3-ethyl-3-methylpentane
- English name
- 3-ETHYL-3-METHYLPENTANE
- Molecular formula
- C8H18
- Molecular weight
- 114.23
Names & synonyms
3-Ethyl-3-methylpentane1067-08-93-METHYL-3-ETHYLPENTANEEINECS 213-923-0DTXSID9074690NSC 73956RefChem:501368DTXCID3033014213-923-0Pentane, 3-ethyl-3-methyl-MFCD00048630NSC-73956
Show more names
3-Ethyl-3-methylpentane>3-ETHYL-3-METHYLPENTANE 99+%
Pentane,3-ethyl-3-methyl-ethylmethylpentane2,2-diethylbutaneNSC73956n-Octan und Isomere3-ethyl-3-methyl pentane3-ethyl-3-methyl-pentane3-Ethyl-3-methylpentane>
Database identifiers
- CAS
1067-08-9- PubChem CID
- 14018
- DTXSID
DTXSID9074690- UNII
- JV6CM7DX87
- EC Number
- 213-923-0
- Nikkaji
- J43.429I
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 42.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -90.87 °C · -90.87°C
- Boiling point
- 118 °C · 118 °C
- Density
- 0.73 · 0.73
- refractive index
- 1.407 · 1.4070-1.4090
- Flash point
- 6 °C · 6 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 2.1 · 2.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 4.64 · 4.640 (est)
- FDA UNII
- 6 CM7DX87 · JV6CM7DX87
- EPA Substance Registry System
- 3 · Pentane, 3-ethyl-3-methyl- (1067-08-9)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
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
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)
Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
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)
Applications
Uses3-Ethyl-3-methylpentane is a volatile compound associated with potato rot and ground beef spoilage.
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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