StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

Isooctan

2-Methylheptane

HCID 11594
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
26635-64-3
Standard-SMILES
CCCCCC(C)C
InChIKey
JVSWJIKNEAIKJW-UHFFFAOYSA-N
Summenformel
C8H18
Durchschnittliche Molmasse
114,23 g/mol
Monoisotopische Masse
114,14085058

Überblick

2-methylheptane is an alkane.

Namen und Bezeichner

Bevorzugter Name
2-Methylheptane
IUPAC
2-methylheptane
Lokaler Name
Isooctan
Englischer Name
isooctane
Summenformel
C8H18
Molmasse
114.23

Namen und Synonyme

2-METHYLHEPTANE592-27-8Heptane, 2-methyl-YU6SU8CCVBEINECS 209-747-9NSC 24844NSC-24844DTXSID2060460Heptane, 2methylRefChem:476056DTXCID7042566209-747-9
Weitere Namen anzeigen
2-methyl-heptaneMethylheptaneMFCD0000951828777-67-5Hexane, dimethyl-DIMETHYLHEXANENSC248442,6-dimethylhexane

Datenbank-Bezeichner

CAS
26635-64-3、28777-67-5、592-27-8
PubChem CID
11594
DTXSID
DTXSID2060460
ChEBI
CHEBI:88849
UNII
YU6SU8CCVB
EC Number
209-747-9
Nikkaji
J43.430B

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
4,3
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
4
Schwere Atome
8
Formalladung
0
Komplexität
37,3

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Density · 2 Einträge

Relative density (water = 1): 0.698

0.608 @25 °C

SolubilitySolubility in water: none
Flash Point4.4 °C
Boiling Point · 2 Einträge

116 °C

118 °C @760 [mm Hg]

Melting Point · 2 Einträge

-109 °C

-109 °C

Vapor DensityRelative vapor density (air = 1): 3.9
Vapor Pressure · 2 Einträge

20.7 [mmHg]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

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 (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)

Gefahrenhinweise

Regulatory Information2-Methylheptane: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsExtremely flammable. Vapour/air mixtures are explosive.
Hazards SummaryA skin irritant; [ICSC] An irritant; Inhalation may cause drowsiness and dizziness; An aspiration hazard by ingestion (may cause lung damage); [Sigma-Aldrich MSDS]
EC ClassificationSymbol: F, Xn, N; R: 11-38-50/53-65-67; S: (2)-9-16-29-33-60-61-62
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Chemical DangersUpon heating, toxic fumes are formed. Reacts with oxidants.
Physical DangersThe vapour is heavier than air and may travel along the ground; distant ignition possible.

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)

Zugehörige Reaktionen

33
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 146101
HRID 146101als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 164563
HRID 164563als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 168525
HRID 168525als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 176861
HRID 176861als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 196378
HRID 196378als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 204583
HRID 204583als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 231929
HRID 231929als Produktuspto-grants-1989_07
Reaktionsgleichung von HRID 287276
HRID 287276als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Seite 1 von 5

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen

Vapor pressure, kPa at 38 °C: 5.3

Physical Description · 2 Einträge

Colorless liquid; [ICSC]

COLOURLESS LIQUID.

Physikochemische Eigenschaften

Schmelzpunkt
-105 ℃ · -105℃
Siedepunkt
99 ℃ · 99℃
EPA chemische Informationen
Isooctane (26635-64-3)
DOT Hazard Classification · 2 Einträge

2-Methylheptane

Marine pollutant

Hazard Classes and Categories · 4 Einträge

Flam. Liq. 2 (100%)

Flammable liquid - category 2

Flammable liquids - Category 2

Flam. Liq. 2

Explosive Limits and PotentialExplosive limits , vol% in air: 1.0-?

Sicherheit und Schutzausrüstung

Fire FightingUse powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4 Einträge

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting.

Safe StorageSeparated from oxidants. Cool. Well closed.
Spillage Disposal · 1 Eintrag

Evacuate danger area! Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance.

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT GENERATION OF MISTS!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation.
Threshold Limit Values (TLV)300 ppm as TWA.

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 Routes · 2 Einträge

The substance can be absorbed into the body by inhalation.

Oral (L400) ; inhalation (L400) ; dermal (L400)

Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
Signs and Symptoms · 2 Einträge

Dry skin. Redness.

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)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

tsca
TSCA listed
ridadr
1262
hazard_class
3.1
packing_group
II