cis,cis-1,5-Cyclooctadiene (HCID 8135)

概要

See also: 1,5-Cyclooctadiene (annotation moved to); 1,5-Cyclooctadiene (Z,Z) (annotation moved to).

名称と識別子

優先名称: cis,cis-1,5-Cyclooctadiene
IUPAC: cycloocta-1,5-diene
現地名: 1,5-シクロオクタジエン
英語名: 1,5-Cyclooctadiene
分子式: C8H12
分子量: 108.18

名称と別名

cis,cis-1,5-Cyclooctadiene1552-12-11,5cyclooctadieneSCHEMBL24014SCHEMBL835704SCHEMBL83629426353-15-11,5-シクロオクタジエンシクロオクタ-1,5-ジエン1,5-シクロオクタンジエン１，５シクロオクタジエン1,5‐シクロオクタジエン

名称をさらに表示

CODCODCycloocta-1,5-diene1,5-COD1,5-CycLooctadiene1,5-CYCLOOCTADIENE1.5-cyclooctandiene1,5-CyclooctanedieneCyclooctadiene, 1,5-

データベース識別子

CAS: 111-78-4、1552-12-1
PubChem CID: 8135
DTXSID: DTXSID0026888
EC Number: 216-291-4

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: 0
重原子数: 8
形式電荷: 0
複雑度: 72.6

物理化学的性質

融点: -69 °C · -69 °C (lit.)
沸点: 149 · 149-150 °C (lit.)
比重(密度): 0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
蒸気圧: 25.8 mm · 25.8 mm Hg ( 37.7 °C)
屈折率: 20 · n20/D 1.493
闪点: 89 °F · 89 °F
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Chloroform
外見: 液体
色: 無色透明
臭気閾値(Odor Threshold): 0.00084 ppm · 0.00084ppm
水溶解度: 780 mg/L · 780mg/L（20℃）
BRN: 2036542 · 2036542
Henry's Law Constant: 3.8 · 3.8×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
安定性: 安定。可燃性。
InChI: 1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-
InChIKey: VYXHVRARDIDEHS-QGTKBVGQSA-N
SMILES: C1CC=CCCC=C1
LogP: 3.16 at · 3.16 at 20℃
CAS データベース: 111 · 111-78-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,5-Cyclooctadiene(111-78-4)
EPAの化学物質情報: 1 · 1,5-Cyclooctadiene (111-78-4)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P303+P361+P353, P304+P340, P317, P330, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 10-23
wgk: 3
tsca: TSCA listed
rtecs: GX9620000
ridadr: UN 2520 3/PG 3
hs_code: 29021990
risk_code: 10-36/38-42/43-65-50/53-22-43-19-20/22-52/53-36/37/38
化審法: (3)-2232
消防法: 危-4-2-III
hazard_code: Xn,N,Xi
safety_code: 26-36-61-60-16-37/39
hazard_class: 3.2
packing_group: III
自然発火温度: 431 °F
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids
有毒物質データの: 111-78-4(Hazardous Substances Data)

化学と産業

応用分野

用途9-ボラビシクロノナンの合成原料

使用Cycloocta-1,5-diene is produced from petroleum distillation fractions and is used as an intermediate in the plastics industry, as a synthetic lubricant, and in numerous other applications.

調製方法 · 1 件

純化方法Purify it by GLC. It has been purified via the AgNO3 salt. This is prepared by shaking with a solution of 50% aqueous AgNO3 w/w several times (e.g. 3 x 50mLand4x50mL) at 70ofor ca 20minutes to get a good separation of layers. The upper layers are combined and further extracted with AgNO3 at 40o (2 x 20 mL). The upper layer (19 mL) of original hydrocarbon mixture gives colourless needles of the AgNO3 complex on cooling. The adduct is recrystallised from MeOH (and cooling to 0o). The hydrocarbon is recovered by steam distilling the salt. The distillate is extracted with Et2O, dried (MgSO4), filtered, evaporated and distilled. [Jones J Chem Soc 312 1954,[Beilstein 5 H 116, 5 IV 403.]