2,5-Dimethylhexane (HCID 11592)

Überblick

2,5-Dimethylhexane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)

Namen und Bezeichner

Bevorzugter Name: 2,5-Dimethylhexane
IUPAC: 2,5-dimethylhexane
Lokaler Name: 2,5-Dimethylhexan
Englischer Name: 2,5-Dimethylhexane
Summenformel: C8H18
Molmasse: 114.23

Namen und Synonyme

2,5-DIMETHYLHEXANE592-13-2BiisobutylHexane, 2,5-dimethyl-PCS13D63P8NSC-74172DTXSID4073201RefChem:82959DTXCID7042564209-745-82,5-DIMETHYL HEXANEMFCD00008951

Weitere Namen anzeigen

DIISOBUTYLhexane,2,5-dimethyl-2,5-Dimethylhexane,99%2,5-Dimethylhexane >2,5-Dimethylhexane in methanol

NSC74172EINECS 209-745-8Hexane,5-dimethyl-NSC 741722,5-dimethyl-hexaneUNII-PCS13D63P8SCHEMBL26458SCHEMBL57015

Datenbank-Bezeichner

CAS: 592-13-2
PubChem CID: 11592
DTXSID: DTXSID4073201
UNII: PCS13D63P8
EC Number: 209-745-8
Nikkaji: J43.425F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 36

Experimentelle und physikochemische Eigenschaften

SolventsSolvents -> Aliphatics, Saturated (<C12)

SpringerMaterials PropertiesBoiling point

Vapor Pressure30.3 [mmHg]

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -91 °C · -91 °C
Siedepunkt: 108 °C · 108 °C (lit.)
Dichte: 0.694 g/mL · 0.694 g/mL at 25 °C (lit.)
Dampfdruck: 1.1 psi · 1.1 psi ( 37.7 °C)
Brechungsindex: 20 · n20/D 1.392(lit.)
Flammpunkt: 80 °F · 80 °F
storage temp.: Flammables area
Spezifische Wärmekapazität: 2.18 J/ · Cp(liquid): 2.18 J/(g·K), at 25℃
BRN: 1696877 · 1696877
Henry's Law Constant: 3.1 · 3.1×10-6 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI: 1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey: UWNADWZGEHDQAB-UHFFFAOYSA-N
SMILES: CC(C)CCC(C)C
LogP: 4.471 · 4.471 (est)
CAS Datenbank: 592 · 592-13-2(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,5-Dimethylhexane (592-13-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 (91.9%): 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)

Gefahrenhinweise

Regulatory Information2,5-Dimethylhexane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Inhalation may cause drowsiness and dizziness; An aspiration hazard by ingestion (may cause lung damage); [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 2 (91.9%)

Flammable liquid - category 2

Flam. Liq. 2

Toxikologische Informationen

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)

Adverse EffectsNeurotoxin - Acute solvent syndrome

Exposure RoutesOral (L400) ; inhalation (L400) ; dermal (L400)

Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)

Signs and Symptoms · 1 Eintrag

Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)

Sicherheitsdaten

wgk: 3
ridadr: UN 3295 3/PG 2
risk_code: 10-38-50/53-65-67-11
hazard_code: Xn,N,F
safety_code: 9-16-29-33-60-61-62
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)

Verwendung und Herstellung

UsesOctanes may be found in gasoline. (L1296)

Anwendungen

Verwenden2,5-Dimethylhexane has been used to study excess entropy scaling relationships for analyzing its kinetic properties using molecular simulation.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2,5-Dimethylhexan-2-ol 2,5-Dimethylhexin-2,5-diol

Nachgelagerte Produkte

2-Methylheptan 2,3,3-Trimethylpentan 2,4-Dimethylpentan 2,5-Dimethylhexan-2,5-diol

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