基本情報
- CAS
590-35-2- 標準SMILES
CCCC(C)(C)C- InChIKey
CXOWYJMDMMMMJO-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-dimethylpentane has been reported in Perilla frutescens with data available.
名称と識別子
- 優先名称
- 2,2-Dimethylpentane
- IUPAC
- 2,2-dimethylpentane
- 英語名
- 2,2-Dimethylpentane
- 分子式
- C7H16
- 分子量
- 100.2
名称と別名
2,2-DIMETHYLPENTANE590-35-2Pentane, 2,2-dimethyl-1,1,1-TrimethylbutaneMFCD00009404M82T90QEVXPentane, 2,2-dimethyl-; 2,2-DimethylpentaneEINECS 209-680-5UNII-M82T90QEVX2,2-dimethyl-pentaneSCHEMBL18748SCHEMBL37435
名称をさらに表示
SCHEMBL56628SCHEMBL56629SCHEMBL84206SCHEMBL93549SCHEMBL558041SCHEMBL640519SCHEMBL1891720SCHEMBL4773821
データベース識別子
- CAS
590-35-2- PubChem CID
- 11542
- DTXSID
DTXSID5060439- UNII
- M82T90QEVX
- EC Number
- 209-680-5
- Nikkaji
- J43.411F
物性
構造計算による物性
- XLogP
- 3.6
- 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
- 7
- 形式電荷
- 0
- 複雑度
- 38.5
実験および物理化学的性質
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure105.0 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -123.8 °C · -123.8 °C
- 沸点
- 79.2 °C · 79.2 °C
- 比重(密度)
- 0.6738 g/cm3 · 0.6738 g/cm3
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 Information2,2-Dimethylpentane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; An aspiration hazard by ingestion (may cause lung damage); Inhalation may cause dizziness and drowsiness; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
安全と保護具
Exposure Control and Personal Protection500.0 [ppm]
Threshold Limit Values (TLV)
400.0 [ppm]
500.0 [ppm]
毒性情報
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)
Household ProductsInformation on 2 consumer products that contain 2,2-Dimethylpentane in the following categories is provided:
General Manufacturing InformationPentane, 2,2-dimethyl-: ACTIVE
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