基本情報
- CAS
563-16-6- 標準SMILES
CCCC(C)(C)CC- InChIKey
KUMXLFIBWFCMOJ-UHFFFAOYSA-N- 分子式
- C8.H18
- 平均分子量
- 114.23 g/mol
- 単同位体質量
- 114.14085057
概要
3,3-dimethylhexane is an alkane that is hexane in which the two methylene hydrogens at position 3 have been replaced by methyl groups.
名称と識別子
- 優先名称
- 3,3-Dimethylhexane
- IUPAC
- 3,3-dimethylhexane
- 現地名
- 3,3-ジメチルヘキサン
- 英語名
- 3,3-Dimethylhexane
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
3,3-Dimethylhexane563-16-6Hexane, 3,3-dimethyl-3,3-DIMETHYL HEXANE3,3-dimethyl-hexaneMFCD000487295Y25PZR32UNSC-74174EINECS 209-243-9NSC 74174UNII-5Y25PZR32USCHEMBL43156
名称をさらに表示
3,3-ジメチルヘキサン3,3-ジメチルヘキサン, IN METHANOL (1000ΜG/ML)HEXANE,3,3-DIMETHYL-Dimethylhexane, 3,3-3,3-Dimethylhexane >3,3-DIMETHYLHEXANE 99+%
SCHEMBL43753SCHEMBL56624SCHEMBL56625SCHEMBL56626SCHEMBL58479SCHEMBL149818SCHEMBL633248SCHEMBL1989375
データベース識別子
- CAS
563-16-6- PubChem CID
- 11233
- DTXSID
DTXSID2073194- ChEBI
CHEBI:132182- UNII
- 5Y25PZR32U
- EC Number
- 209-243-9
- Nikkaji
- J43.426D
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
- 53.1
実験および物理化学的性質
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Density0.7100 @ 20°C
Boiling Point
111.90 °C. @ 760.00 mm Hg
111.9 °C @760 [mm Hg]
Melting Point
-126.1 °C
-126.1 °C
Vapor Pressure28.6 [mmHg]
Physical Description
Liquid; [Aldrich MSDS]
Liquid
物理化学的性質
- 融点
- -126 °C · -126 °C
- 沸点
- 112 °C · 112 °C
- 比重(密度)
- 0.71 · 0.71
- 屈折率
- 1.4 · 1.4000-1.4010
- 闪点
- 7 °C · 7 °C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
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, mucous membrane, and upper respiratory tract irritant; Inhalation of vapor may cause drowsiness or dizziness; Harmful by ingestion (may cause lung damage on aspiration); [Aldrich MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
安全と保護具
Protective Action Criteria (PAC)
200 [ppm]
2200 [ppm]
13000 [ppm]
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)
Cellular LocationsMembrane
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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