基本情報
- CAS
1067-08-9- 標準SMILES
CCC(C)(CC)CC- InChIKey
GIEZWIDCIFCQPS-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-3-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-3-methylpentane
- IUPAC
- 3-ethyl-3-methylpentane
- 現地名
- 3-エチル-3-メチルペンタン
- 英語名
- 3-ETHYL-3-METHYLPENTANE
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
3-Ethyl-3-methylpentane1067-08-93-METHYL-3-ETHYLPENTANEEINECS 213-923-0DTXSID9074690NSC 73956RefChem:501368DTXCID3033014213-923-0Pentane, 3-ethyl-3-methyl-MFCD00048630NSC-73956
名称をさらに表示
3-エチル-3-メチルペンタン3-メチル-3-エチルペンタン3-Ethyl-3-methylpentane>3-ETHYL-3-METHYLPENTANE 99+%
Pentane,3-ethyl-3-methyl-ethylmethylpentane2,2-diethylbutaneNSC73956n-Octan und Isomere3-ethyl-3-methyl pentane3-ethyl-3-methyl-pentane3-Ethyl-3-methylpentane>
データベース識別子
- CAS
1067-08-9- PubChem CID
- 14018
- DTXSID
DTXSID9074690- UNII
- JV6CM7DX87
- EC Number
- 213-923-0
- Nikkaji
- J43.429I
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
- 形式電荷
- 0
- 複雑度
- 42.8
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
物理化学的性質
- 融点
- -90.87 °C · -90.87°C
- 沸点
- 118 °C · 118 °C
- 比重(密度)
- 0.73 · 0.73
- 屈折率
- 1.407 · 1.4070-1.4090
- 闪点
- 6 °C · 6 °C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- Henry's Law Constant
- 2.1 · 2.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 4.64 · 4.640 (est)
- EPAの化学物質情報
- 3 · Pentane, 3-ethyl-3-methyl- (1067-08-9)
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
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)
Exposure RoutesOral (L400) ; inhalation (L400) ; dermal (L400)
Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
Signs and Symptoms
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3-Ethyl-3-methylpentane is a volatile compound associated with potato rot and ground beef spoilage.
上流・下流製品情報
下流製品
関連反応
1 件
化合物ノート
読み込み中…