옥타디인(1,7-)

1,7-Octadiene

HCID 19460CAS 3710-30-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CCCCCC=C
InChIKey
XWJBRBSPAODJER-UHFFFAOYSA-N
분자식
C8H14
평균 분자량
110.2 g/mol
단동위원소 질량
110.10955045

개요

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

이름 및 식별자

우선 이름
1,7-Octadiene
IUPAC
octa-1,7-diene
현지명
옥타디인(1,7-)
영어명
1,7-Octadiene
분자식
C8H14
분자량
110.2

이름 및 동의어

1,7-OCTADIENE3710-30-3alpha,omega-OctadieneN4H29T34J2NSC-82324DTXSID6063147CHEBI:183652RefChem:6714DTXCID8039293223-054-9Octa-1,7-diene.alpha.,.omega.-Octadiene
이름 더 보기
1,7-옥타다이엔1,7-옥타디엔옥타디인(1,7-)1,7-옥타디엔(1,7-OCTADIENE)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.5
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
5
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
SolubilitySolubility in water: none
Flash Point9 °C
Boiling Point114-121 °C
Melting Point-70 °C

물리화학적 성질

녹는점
-70 °C · -70 °C
끓는 점
114 · 114-121 °C(lit.)
밀도
0.746 g/mL · 0.746 g/mL at 25 °C(lit.)
증기압
20 hPa · 20 hPa (20 °C)
굴절률
20 · n20/D 1.422(lit.)
인화점
49 °F · 49 °F

화학적 성질

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 4건

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 · 1건

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 · 2건

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

안전 및 보호

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 · 4건

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.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.
Signs and Symptoms · 3건

Cough.

Redness. Pain.

Redness. Pain.

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

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
RG5250000
ridadr
UN 2309
독성
LD50 orally in Rabbit: 20000 mg/kg LD50 dermal Rabbit 10519 mg/kg
HS 번호
29012900

화학 및 산업

용도 및 제조

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
응용 분야 · 2건

용도1,7-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.

일반 설명1,7-Octadiene can serve as a crosslinker and source of ethylene for a variant of Mori′s conditions in CEYM-related reactions.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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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]

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