基本情報
- CAS
464-06-2- 標準SMILES
CC(C)C(C)(C)C- InChIKey
ZISSAWUMDACLOM-UHFFFAOYSA-N- 分子式
- C7H16
- 平均分子量
- 100.2 g/mol
- 単同位体質量
- 100.12520051
概要
2,2,3-Trimethylbutane is a hydrocarbon and one of the isomers of heptane. Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
名称と識別子
- 優先名称
- 2,2,3-Trimethylbutane
- IUPAC
- 2,2,3-trimethylbutane
- 英語名
- 2,2,3-Trimethylbutane
- 分子式
- C7H16
- 分子量
- 0
名称と別名
2,2,3-TRIMETHYLBUTANETriptanTriptaneButane, 2,2,3-trimethyl-UNII-40V943JDGRtrimethylbutane40V943JDGREINECS 207-346-3NSC 73938NSC-73938DTXSID7060047Pentamethylethane
名称をさらに表示
RefChem:80842Butane, 2,2,3trimethylDTXCID3040489207-346-3InChI=1/C7H16/c1-6(2)7(3,4)5/h6H,1-5HUN1206ZISSAWUMDACLOM-UHFFFAOYSA-N464-06-2
データベース識別子
- CAS
464-06-2- PubChem CID
- 10044
- DTXSID
DTXSID7060047- ChEMBL
CHEMBL4297446- UNII
- 40V943JDGR
- EC Number
- 207-346-3
- Nikkaji
- J44.099J
物性
構造計算による物性
- XLogP
- 3.3
- 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
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 45.5
実験および物理化学的性質
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure102.0 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -25 °C · -25 °C
- 沸点
- 80.8 °C · 80.8 °C
- 比重(密度)
- 0.7065 g/cm3 · 0.7065 g/cm3(Temp: 40 °C)
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 Information
REACH registered substance: 2,2,3-trimethylbutane (EC: 207-346-3)
2,2,3-Trimethylbutane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; May cause CNS depression; An aspiration hazard by ingestion (may cause lung damage); Targets the CNS, heart, and lungs; [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)
用途と製造
UsesHeptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
General Manufacturing InformationButane, 2,2,3-trimethyl-: ACTIVE
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