1,7-Octadiene (HCID 19460)

概要

1,7-octadiene is an alkadiene that is octane carrying two double bonds at positions 1 and 7.

名称と識別子

優先名称: 1,7-Octadiene
IUPAC: octa-1,7-diene
現地名: 1,7-オクタジエン
英語名: 1,7-Octadiene
分子式: C8H14
分子量: 110.2

名称と別名

1,7-OCTADIENE3710-30-3alpha,omega-OctadieneN4H29T34J2NSC-82324DTXSID6063147CHEBI:183652RefChem:6714DTXCID8039293223-054-9Octa-1,7-diene.alpha.,.omega.-Octadiene

名称をさらに表示

1,7-オクタジエンオクタ-1,7-ジエン１，７－オクダジエンオクタジエン1,7‐オクタジエン1,7-オクタジエン, 97%Octadiene-1,7α,ω-octadieneOcta-1,7-dien1,7-Octadiene>1,7-Octadiene 98%1,7-Octadiene,97%1,7-OCTADIENE 98+%

MFCD0000866826374-83-4EINECS 223-054-9NSC 82324BRN 0605288UNII-N4H29T34J2AI3-2800017-Octadiene

データベース識別子

CAS: 3710-30-3
PubChem CID: 19460
DTXSID: DTXSID6063147
ChEBI: CHEBI:183652
UNII: N4H29T34J2
EC Number: 223-054-9
Nikkaji: J21.020J

物性

構造計算による物性

XLogP: 3.5
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: 5
重原子数: 8
形式電荷: 0
複雑度: 52.4

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

SolubilitySolubility in water: none

Flash Point9 °C

Boiling Point114-121 °C

Melting Point-70 °C

物理化学的性質

融点: -70 °C · -70 °C
沸点: 114 · 114-121 °C(lit.)
比重(密度): 0.746 g/mL · 0.746 g/mL at 25 °C(lit.)
蒸気圧: 20 hPa · 20 hPa (20 °C)
屈折率: 20 · n20/D 1.422(lit.)
闪点: 49 °F · 49 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.08 g/l · 0.08g/l
外見: 液体
色: 無色透明～微黄色透明
爆発限界(explosive limit): 0.5 · 0.5-8.8%(V)
水溶解度: メタノールおよびシクロヘキサンと混和します。水とわずかに混和する。
BRN: 605288 · 605288
InChI: 1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2
InChIKey: XWJBRBSPAODJER-UHFFFAOYSA-N
SMILES: C=CCCCCC=C
LogP: 4 at · 4 at 25℃
CAS データベース: 3710 · 3710-30-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,7-Octadiene (3710-30-3)

化学的性質

化学的特性CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

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

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

Aggregated GHS information provided per 116 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,7-Octadiene

Regulation (EC) No 1935/2004 (amended)

Status: Active Update: 14-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5738

1,7-Octadiene: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsHighly flammable. Vapour/air mixtures are explosive.

Hazards Summary · 1 件

Dermal LD50 (rabbit) = 14,100 uL/kg; Oral LD50 (rat) = 19,700 uL/kg; [RTECS] A skin, eye, and respiratory tract irritant; [ICSC] A mild skin irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] Octadiene (UN2309) has warning of explosive polymerization. [ERG 2016] See 1,4-Hexadiene.

UN ClassificationUN Hazard Class: 3; UN Pack Group: II

Chemical DangersReacts with oxidants.

Hazard Classes and Categories · 2 件

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

安全と保護具

Fire FightingUse powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. Combat fire from a sheltered position.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Rest. Refer for medical attention .

Safe StorageFireproof. Separated from oxidants. Cool.

Spillage DisposalCollect leaking liquid in sealable containers. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles.

Fire PreventionNO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Use non-sparking handtools.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.

Signs and Symptoms · 3 件

Cough.

Redness. Pain.

Toxicity DataLC50 (rat) = 36,000 mg/m3/4hr

安全データ

F: 9
wgk: 1
tsca: TSCA listed
rtecs: RG5250000
ridadr: UN 2309
毒性: LD50 orally in Rabbit: 20000 mg/kg LD50 dermal Rabbit 10519 mg/kg
hs_code: 29012900
risk_code: 11-52/53-65
化審法: (2)-3935
消防法: 危-4-1-II
hazard_code: F,Xn
safety_code: 16-61-62
hazard_class: 3
packing_group: II
自然発火温度: 230 °C
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed in organic synthesis; [ExPub: EPA - TSCATS] Used as a monomer, polymer crosslinking agent, intermediate, and in scientific research and development; [ExPub: ECHA REACH Registrations]

General Manufacturing Information1,7-Octadiene: ACTIVE

応用分野 · 3 件

用途有機合成中間体

使用1,7-Octadiene is used in organic synthesis. It is also used to study and assess the structure and reaction rate in olefin ring-closing metathesis of a series of simple dienes. Further, it is used in a study to investigate micropatterned surfaces prepared by plasma polymerization. It acts as a crosslinker as well as a source of ethylene in cross-enyne metathesis (CEYM)-related reactions.

一般的な説明1,7-Octadiene can serve as a crosslinker and source of ethylene for a variant of Mori′s conditions in CEYM-related reactions.

上流・下流製品情報

上流原料

下流製品

CB3715673 3,5-Octadiene, (E,E)- (8CI,9CI)3,8-ジメチルデカン 1,6-オクタジエン 1,2-ジメチルシクロヘキサン (cis-, trans-混合物)n-オクタンドデカン

サプライヤー50 社

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

北京穹峰科技有限公司13552142508 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

1,7-オクタジエン

基本情報

概要