基本情報
- CAS
589-81-1- 標準SMILES
CCCCC(C)CC- InChIKey
LAIUFBWHERIJIH-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-methylheptane is an alkane.
名称と識別子
- 優先名称
- 3-Methylheptane
- IUPAC
- 3-methylheptane
- 現地名
- 3-メチルヘプタン
- 英語名
- 3-METHYLHEPTANE
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
3-METHYLHEPTANE589-81-1Heptane, 3-methyl-2-Ethylhexane3-methyl-heptane3-METHYLHEPTANE-D18MFCD00027244Z4R1WI6C0RNSC-2484562884-45-13-methylheptan3-methyl heptane
名称をさらに表示
3-メチルヘプタン３メチルヘプタン3-メチルヘプタン, IN METHANOL (1000ΜG/ML)2-エチルヘキサン3-methyl-heptanMethylheptane,97%heptane,3-methyl-3-Methylheptane>3-Methylheptane,95%Glycerol Impurity 75BUTYLETHYLMETHYLMETHANE
NSC24845EINECS 209-660-6NSC 248453-Methyl-(S)-Heptane3-Methylheptane, 98%UNII-Z4R1WI6C0RSCHEMBL15059SCHEMBL37546
データベース識別子
- CAS
589-81-1- PubChem CID
- 11519
- DTXSID
DTXSID90862250- ChEBI
CHEBI:89985- UNII
- Z4R1WI6C0R
- EC Number
- 209-660-6
- Nikkaji
- J43.431K
物性
構造計算による物性
- XLogP
- 4.3
- 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
- 4
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 39.3
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
Solubility0.000792 mg/mL at 25 °C
Boiling Point118.00 °C. @ 760.00 mm Hg
Melting Point-100 °C
Vapor Pressure19.6 [mmHg]
Physical Description
Clear colorless liquid; [Sigma-Aldrich MSDS]
Liquid
物理化学的性質
- 融点
- -121 · -121--120°C
- 沸点
- 118 °C · 118 °C(lit.)
- 比重(密度)
- 0.705 g/mL · 0.705 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.73 psi · 0.73 psi ( 37.7 °C)
- 屈折率
- 20 · n20/D 1.398(lit.)
- 闪点
- 45 °F · 45 °F
- 外見
- clear liquid
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 Information3-Methylheptane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Inhalation may cause drowsiness and dizziness; An aspiration hazard by ingestion (may cause lung damage); [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)
Cellular LocationsMembrane
用途と製造
UsesOctanes may be found in gasoline. (L1296)
General Manufacturing InformationHeptane, 3-methyl-: ACTIVE
応用分野
使用Calibration, organic synthesis.
上流・下流製品情報
下流製品
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