옥타디인(1,7-)
1,7-Octadiene
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기본 정보
- CAS
3710-30-3- 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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 52.4
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
Vapor Pressure15.0 [mmHg]
Physical Description
Colorless liquid; [ICSC] Colorless liquid with a strong odor; [Alfa Aesar MSDS]
COLOURLESS LIQUID.
Autoignition Temperature230 °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.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: 1,7-Octadiene
Regulation (EC) No 1935/2004 (amended)
REACH registered substance: Octa-1,7-diene (EC: 223-054-9)
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
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
Flam. Liq. 2 (100%)
Flammable liquids - Category 2
Explosive Limits and PotentialExplosive limits , vol% in air:
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
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.
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