基本情報
- CAS
564-02-3- 標準SMILES
CCC(C)C(C)(C)C- InChIKey
XTDQDBVBDLYELW-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
2,2,3-Trimethylpentane 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
- 2,2,3-Trimethylpentane
- IUPAC
- 2,2,3-trimethylpentane
- 現地名
- 2,2,3-トリメチルペンタン
- 英語名
- 2,2,3-TRIMETHYLPENTANE
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
2,2,3-TRIMETHYLPENTANE564-02-3Pentane, 2,2,3-trimethyl-MFCD000592411P0B7R5K5TNSC-73954UNII-1P0B7R5K5TNSC73954EINECS 209-266-4NSC 73954Pentane,2,3-trimethyl-2-TERT-BUTYLBUTANE
名称をさらに表示
2,2,3-トリメチルペンタン2,2,3-トリメチルペンタン, IN METHANOL (1000ΜG/ML)trimethylpentane(CH3)3CCH(CH3)CH2CH32,2,3-Trimethylpentane >2,2,3-TRIMETHYLPENTANE 99+%2,2,3-Trimethylpentane in methanol2,2,3-Trimethylpentanetrimethylpentane
SCHEMBL132888SCHEMBL163361SCHEMBL233272SCHEMBL497672SCHEMBL1402254SCHEMBL1896248SCHEMBL4620578SCHEMBL6248298
データベース識別子
- CAS
564-02-3- PubChem CID
- 11255
- DTXSID
DTXSID60862202- UNII
- 1P0B7R5K5T
- EC Number
- 209-266-4
- Nikkaji
- J44.095G
物性
構造計算による物性
- XLogP
- 3.8
- 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
- 2
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 56.9
実験および物理化学的性質
SolventsSolvents -> Aliphatics, Saturated (<C12)
Vapor Pressure32.1 [mmHg]
Physical DescriptionLiquid; [TCI America MSDS]
物理化学的性質
- 融点
- -112.26 °C · -112.26°C
- 沸点
- 110 °C · 110 °C
- 比重(密度)
- 0.72 · 0.72
- 屈折率
- 1.402 to · 1.4020 to 1.4040
- 闪点
- 8 °C · 8 °C
- 外見
- clear liquid
- 色
- Colorless
- Henry's Law Constant
- 2.4 · 2.4×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2 · 2.0(Ambient)
- CAS データベース
- 564 · 564-02-3(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2,2,3-Trimethylpentane (564-02-3)
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
Hazards SummaryMay have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS] See 3-Methylpentane.
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)
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesOral (L400) ; inhalation (L400) ; dermal (L400)
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
使用2,2,3-Trimethylpentane (CAS# 564-02-3) is a chemical component of gasoline.
調製方法
純化方法Purify it by azeotropic distillation with 2-methoxyethanol, which is subsequently washed out with water. The trimethylpentane is then dried and fractionally distilled. [Forziati et al. J Res Nat Bur Stand 36 129 1946, Beilstein 1 IV 439.]
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