基本情報
- CAS
609-26-7- 標準SMILES
CCC(CC)C(C)C- InChIKey
DUPUVYJQZSLSJB-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
3-Ethyl-2-methylpentane 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
- 3-Ethyl-2-methylpentane
- IUPAC
- 3-ethyl-2-methylpentane
- 現地名
- 3-エチル-2-メチルペンタン
- 英語名
- 3-ETHYL-2-METHYLPENTANE
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
3-Ethyl-2-methylpentane609-26-72-METHYL-3-ETHYLPENTANEEINECS 210-187-2DTXSID40880424NSC 739552Methyl3ethylpentanePentane, 3ethyl2methylRefChem:501333DTXCID909429210-187-2Pentane, 3-ethyl-2-methyl-
名称をさらに表示
3-エチル-2-メチルペンタン2-メチル-3-エチルペンタンethylmethylpentan3-ETHYL-2-METHYLPENTANpentane,3-ethyl-2-methyl-3-Ethyl-2-methylpentane>3-ETHYL-2-METHYLPENTANE 99+%
MFCD000486653-ethyl-2-methyl-pentaneNSC73955SCHEMBL59968SCHEMBL83373SCHEMBL83374SCHEMBL384121SCHEMBL506039
データベース識別子
- CAS
609-26-7- PubChem CID
- 11863
- DTXSID
DTXSID40880424- EC Number
- 210-187-2
- Nikkaji
- J43.562G
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
- 42
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure24.0 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -114.95 °C · -114.95°C
- 沸点
- 116 °C · 116°C
- 比重(密度)
- 0 · 0,72 g/cm3
- 屈折率
- 1.403 · 1.4030-1.4050
- 闪点
- 3 °C · 3°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- Henry's Law Constant
- 2.3 · 2.3×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- 安定性
- Volatile
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 SummaryA skin irritant; Harmful by ingestion (may cause lung damage by aspiration); Inhalation may cause drowsiness and dizziness; A possible sensitizer, based on QSAR modeling; Targets the CNS; [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)
Adverse EffectsNeurotoxin - Acute solvent syndrome
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)
上流・下流製品情報
下流製品
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