2,4-Dimethylhexane (HCID 11511)

概要

2,4-dimethylhexane is an alkane that is hexane carrying a methyl group at positions 2 and 4. It has a role as a human metabolite. It is a volatile organic compound and an alkane. It derives from a hydride of a hexane.

名称と識別子

優先名称: 2,4-Dimethylhexane
IUPAC: 2,4-dimethylhexane
英語名: 2,4-Dimethylhexane
分子式: C8H18
分子量: 114.23

名称と別名

2,4-DIMETHYLHEXANE589-43-5Hexane, 2,4-dimethyl-2,4-dimethyl-hexane9A9NBD65O2NSC-74171CHEBI:141561DTXSID60873237RefChem:1059783(+-)-2,4-DimethylhexaneDTXCID509821209-649-6

名称をさらに表示

EINECS 292-458-5MFCD00039929(+/-)-2,4-DIMETHYLHEXANE90622-56-32,4-Dimethyl hexaneNSC74171EINECS 209-649-6NSC 74171

データベース識別子

CAS: 589-43-5、90622-56-3
PubChem CID: 11511
DTXSID: DTXSID60873237
ChEBI: CHEBI:141561
UNII: 9A9NBD65O2
EC Number: 209-649-6
Nikkaji: J43.424H

物性

構造計算による物性

XLogP: 4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 46

実験および物理化学的性質

SolventsSolvents -> Aliphatics, Saturated (<C12)

SpringerMaterials PropertiesBoiling point

Flavoring AgentsEU Flavoring substances

Vapor Pressure30.4 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 25 °C · <25 °C
沸点: 109.5 °C · 109.5 °C
比重(密度): 0.7083 g/cm3 · 0.7083 g/cm3(Temp: 15 °C)

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 2 件

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2,4-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 件

Flam. Liq. 2 (100%)

Flammable liquid - category 2

Flam. Liq. 2

毒性情報

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 件

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)

安全データ

注意喚起語: 危険
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H225

化学と産業

薬理情報

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

用途と製造

UsesOctanes may be found in gasoline. (L1296)

サプライヤー37 社

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2,4-Dimethylhexane

基本情報

概要