5-メチル-1-ヘキセン

5-Methyl-1-hexene

HCID 77058CAS 3524-73-0

基本情報

標準SMILES: C=CCCC(C)C
InChIKey: JIUFYGIESXPUPL-UHFFFAOYSA-N
分子式: C7H14
平均分子量: 98.19 g/mol
単同位体質量: 98.10955045

概要

Isoheptene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Used to make other chemicals.

名称と識別子

優先名称: 5-Methyl-1-hexene
IUPAC: 5-methylhex-1-ene
現地名: 5-メチル-1-ヘキセン
英語名: 5-METHYL-1-HEXENE
分子式: C7H14
分子量: 98.19

名称と別名

5-Methyl-1-hexene5-Methylhex-1-ene3524-73-01-Hexene, 5-methyl-D7GF4GV7QRNSC-73927DTXSID60188732RefChem:1073079DTXCID20111223222-541-3MFCD0003985868975-47-3

名称をさらに表示

5-メチル-1-ヘキセン5-メチルヘキサ-1-エンisoamylethylene3-Methyl-1-hexexe.5-Methyl-1-hexene>5-Methyl-1-hexene,99%5-METHYL-1-HEXENE ISO 9001：2015 REACH

IsohepteneUNII-D7GF4GV7QRNSC73927EINECS 222-541-3AI3-37713SCHEMBL72618SCHEMBL84005SCHEMBL487491

データベース識別子

CAS: 3524-73-0、68975-47-3
PubChem CID: 77058
DTXSID: DTXSID60188732
UNII: D7GF4GV7QR
EC Number: 222-541-3、273-472-0
Nikkaji: J100.674F

物性

構造計算による物性

XLogP: 3.2
極性表面積: 0 Å²
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: 7
形式電荷: 0
複雑度: 44

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

Physical Description · 2 件

Isoheptene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Used to make other chemicals.

Colorless liquid; [Aldrich MSDS]

物理化学的性質

融点: -124.4 °C · -124.4°C (estimate)
沸点: 84 · 84-85 °C(lit.)
比重(密度): 0.691 g/mL · 0.691 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.396
闪点: -10 °C · -10°C
外見: clear liquid
色: Colorless to Almost colorless
BRN: 1731846 · 1731846
Henry's Law Constant: 1.9 · 1.9×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
CAS データベース: 3524 · 3524-73-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelFlammable Liquid

Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Hazards SummaryMay cause irritation; May be harmful by ingestion (may cause lung damage by aspiration); [Aldrich MSDS] See Hexene.

Reactive GroupHydrocarbons, Aliphatic Unsaturated

Reactivity AlertsHighly Flammable

安全と保護具

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: 3
ridadr: UN 3295 3/PG 2
hs_code: 2901.29.1050
risk_code: 11-65
消防法: 危-4-1-II
hazard_code: F,Xn
safety_code: 16-23-24/25-62
hazard_class: 3
packing_group: II

化学と産業

上流・下流製品情報

上流原料

3,3-ジメチル-1-ペンテン

下流製品

2-isopropyl cyclopentanone

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