基本情報
- CAS
560-21-4- 標準SMILES
CCC(C)(C)C(C)C- InChIKey
OKVWYBALHQFVFP-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
2,3,3-trimethylpentane is a branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3. It has a role as a mammalian metabolite, a bacterial metabolite and a human metabolite. It is a volatile organic compound and an alkane.
名称と識別子
- 優先名称
- 2,3,3-Trimethylpentane
- IUPAC
- 2,3,3-trimethylpentane
- 現地名
- 2,3,3-トリメチルペンタン
- 英語名
- 2,3,3-TRIMETHYLPENTANE
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
2,3,3-TRIMETHYLPENTANE560-21-4Pentane, 2,3,3-trimethyl-J62AAG7FN0NSC-77447EINECS 209-207-2NSC 77447UNII-J62AAG7FN0BRN 1696865NSC77447233-TrimethylpentanePentane,3,3-trimethyl-
名称をさらに表示
2,3,3-トリメチルペンタン2,3,3-トリメチルペンタン, IN METHANOL (1000ΜG/ML)2,3,3-trimethyl-pentanC2H5C(CH3)2CH(CH3)22,3,3-Trimethylpentane in methanolASTM? D5134 2,3,3-TrimethylpentaneASTM D5134 2,3,3-TRIMETHYLPENTANE, 500MG , NEAT
2,3,3-trimethyl-pentane4-01-00-00445 (Beilstein Handbook Reference)SCHEMBL100145SCHEMBL135476SCHEMBL216168SCHEMBL216169SCHEMBL232207SCHEMBL449072
データベース識別子
- CAS
560-21-4- PubChem CID
- 11215
- DTXSID
DTXSID2060333- ChEBI
CHEBI:143849- UNII
- J62AAG7FN0
- EC Number
物性
構造計算による物性
- XLogP
- 3.8
- 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
- 8
- 形式電荷
- 0
- 複雑度
- 60.4
実験および物理化学的性質
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure27.0 [mmHg]
Physical DescriptionLiquid; [Aldrich MSDS]
物理化学的性質
- 融点
- -100.93 °C · -100.93°C
- 沸点
- 114.77 °C · 114.77°C
- 比重(密度)
- 0.722 · 0.7220
- 屈折率
- 1.4052 · 1.4052
- 闪点
- -6 ℃ · -6℃
- 貯蔵温度
- room temp
- 比熱容量
- 2.15 J/ · Cp(liquid): 2.15 J/(g·K), at 25℃
- Henry's Law Constant
- 2.1 · 2.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- EPAの化学物質情報
- 2 · Pentane, 2,3,3-trimethyl- (560-21-4)
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; May cause lung injury if ingested; Inhalation of vapor may cause drowsiness or dizziness; [ESIS] An irritant; Inhalation may cause drowsiness and dizziness; Aspiration hazard by ingestion; Targets the CNS; [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)
General Manufacturing InformationPentane, 2,3,3-trimethyl-: ACTIVE
上流・下流製品情報
上流原料
下流製品
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