基本情報
- CAS
584-94-1- 標準SMILES
CCCC(C)C(C)C- InChIKey
JXPOLSKBTUYKJB-UHFFFAOYSA-N- 分子式
- C8H18
- 平均分子量
- 114.23 g/mol
- 単同位体質量
- 114.14085057
概要
2,3-dimethylhexane is an alkane.
名称と識別子
- 優先名称
- 2,3-Dimethylhexane
- IUPAC
- 2,3-dimethylhexane
- 現地名
- 2,3-ジメチルヘキサン
- 英語名
- 2,3-DIMETHYLHEXANE
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
2,3-DIMETHYLHEXANEHexane, 2,3-dimethyl-EINECS 209-547-1NSC 741702,3dimethylhexaneHexane, 2,3dimethylRefChem:442532Hexane, 2,3-dimethyl-(8CI)Hexane, 2,3-dimethyl-(8CI)(9CI)209-547-1584-94-1xi-2,3-Dimethylhexane
名称をさらに表示
2,3-ジメチルヘキサン2,3-ジメチルヘキサン, IN METHANOL (1000ΜG/ML)dimethylhexane94%2,3-DimethyIhexane2,3-Dimethylhexane >2 3-DIMETHYLHEXANE 97%2,3-DIMETHYLHEXANE 94+%Copper(II) hydroxide&ge
(+/-)-2,3-DimethylhexaneMFCD000399512,3-DIMETHYL HEXANENSC741702,3-dimethyl-hexaneSCHEMBL55622SCHEMBL56390SCHEMBL82073
データベース識別子
- CAS
584-94-1- PubChem CID
- 11447
- DTXSID
DTXSID40862240- ChEBI
CHEBI:173398- EC Number
- 209-547-1
- Nikkaji
- J43.423J
物性
構造計算による物性
- XLogP
- 4
- 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
- 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
Vapor Pressure23.4 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -91.46 °C · -91.46°C (estimate)
- 沸点
- 115 °C · 115 °C
- 比重(密度)
- 0.71 · 0.71
- 屈折率
- 1.4 · 1.4000-1.4020
- 闪点
- 7 °C · 7 °C
- 溶解性
- Chloroform (Sparingly), Ethyl Acetate (Soluble)
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- Henry's Law Constant
- 2.4 · 2.4×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 4.471 · 4.471 (est)
- CAS データベース
- 584 · 584-94-1(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2,3-Dimethylhexane (584-94-1)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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)
危険有害性情報
Regulatory Information2,3-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
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)
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)
Cellular LocationsMembrane
用途と製造
UsesOctanes may be found in gasoline. (L1296)
応用分野
使用2,3-Dimethylhexane is one of the pollutants from emission of medium duty diesel trucks.
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