2,2-ジメチルヘキサン

2,2-Dimethylhexane

HCID 11551
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基本情報

CAS
29222-48-8
標準SMILES
CCCCC(C)(C)C
InChIKey
FLTJDUOFAQWHDF-UHFFFAOYSA-N
分子式
C8H18
平均分子量
114.23 g/mol
単同位体質量
114.14085058

概要

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

名称と識別子

優先名称
2,2-Dimethylhexane
IUPAC
2,2-dimethylhexane
現地名
2,2-ジメチルヘキサン
英語名
2,2-DIMETHYLHEXANE
分子式
C8H18
分子量
114.23

名称と別名

2,2-DIMETHYLHEXANE590-73-8Hexane, 2,2-dimethyl-MFCD0000948529222-48-8G1EH35W01HNSC-1740652,2-Dimethyl hexaneEINECS 209-689-4Hexane,2-dimethyl-NSC1740652,2-dimethyl-hexane
名称をさらに表示
2,2-ジメチルヘキサン2,2,5-トリメチルペンタン2,2-ジメチルヘキサン, IN METHANOL (1000ΜG/ML)(CH3)3C(CH2)3CH32,2-DIMETHYLHEXANE 99%2,2,5-Trimethylpentane2,2-Dimethylhexane >N-BUTYLTRIMETHYLMETHANEn-ButyltrimethylmathaneN-BUTYLTRIMETHYLMETHANE 99%
NSC 174065UNII-G1EH35W01HSCHEMBL42740SCHEMBL43611SCHEMBL56455SCHEMBL56456SCHEMBL827562,2-Dimethylhexane, 98%

データベース識別子

CAS
29222-48-8、590-73-8
PubChem CID
11551
DTXSID
DTXSID9073200
UNII
G1EH35W01H
EC Number
209-689-4
Nikkaji
J43.422A

物性

構造計算による物性

XLogP
4.1
極性表面積
0 Ų
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

実験および物理化学的性質

SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Vapor Pressure34.0 [mmHg]
Physical DescriptionClear, colorless liquid; [Aldrich MSDS]

物理化学的性質

融点
-121.1 ℃ · -121.1℃
沸点
107 °C · 107 °C (lit.)
比重(密度)
0.693 g/mL · 0.693 g/mL at 25 °C (lit.)
蒸気圧
1.22 psi · 1.22 psi ( 37.7 °C)
屈折率
20 · n20/D 1.393(lit.)
闪点
26 °F · 26 °F

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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)

2,2-Dimethylhexane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Inhalation may cause drowsiness or dizziness; Harmful by ingestion (may cause lung damage by aspiration); [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

wgk
3
ridadr
UN 3295 3/PG 2
hs_code
2901.10.5000
risk_code
11-38-50/53-65-67
化審法
(2)-8
消防法
危-4-1-II

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)
応用分野 · 1 件

一般的な説明2,2-Dimethylhexane is one of the products of the corona discharge of a simulated Titan′s atmosphere (2% argon in nitrogen and 10% methane) at 500 Torr and 298 K (using GC-FTIR-MS techniques). It was used to study the adsorption of linear and branched alkanes on a microporous silicoaluminophosphate material (SAPO-5) using chromatographic techniques.

調製方法

純化方法Dry the hexane over type 4A molecular sieves and distil it. [Beilstein 1 IV 432.]

上流・下流製品情報

サプライヤー1 社

SKC Inc.[email protected]

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