1-Octyne (HCID 12370)

이름 및 식별자

우선 이름: 1-Octyne
IUPAC: oct-1-yne
영어명: 1-Octyne
분자식: C8H14
분자량: 110.2

이름 및 동의어

1-OCTYNEoct-1-yne629-05-0Hexylacetylene7S3FMU8W67DTXSID9060863RefChem:76790DTXCID4043565211-069-3EINECS 211-069-3MFCD00009546BRN 1734494

이름 더 보기

1-0ctyne1-0ctin1-Acetynecaprylidene1-Octyne>1-Octyne,99%1-OCTYNE 98%

32073-03-3EC 211-069-34-01-00-01034 (Beilstein Handbook Reference)Octyne-11-Octine; Hexylacetylene; n-Hexylacetylene1-Octyne, 97%n-hexylacetyliden-octyne

데이터베이스 식별자

CAS: 32073-03-3、629-05-0
PubChem CID: 12370
DTXSID: DTXSID9060863
UNII: 7S3FMU8W67
EC Number: 211-069-3
Nikkaji: J21.021H

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 73.3

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

LogP3.92

Vapor Pressure13.6 [mmHg]

Physical DescriptionClear colorless liquid; [Aldrich MSDS]

물리화학적 성질

녹는점: -80 °C · -80 °C (lit.)
끓는 점: 127 · 127-128 °C (lit.)
밀도: 0.747 g/mL · 0.747 g/mL at 25 °C (lit.)
증기압: 37.7 mm · 37.7 mm Hg ( 37.7 °C)
굴절률: 20 · n20/D 1.416(lit.)
인화점: 64 °F · 64 °F
저장 조건: Flammables area
용해도: 0.024 g/L · 0.024g/L
물리적 상태: 액체
Specific Gravity: 0.746 · 0.746
색상: 무색~황색으로 투명함
폭발한계: 0.8 % · 0.8%(V)
수용성: 알코올, 에테르 및 기타 유기 용매와 섞일 수 있습니다. 물과 섞이지 않습니다.
BRN: 1734494 · 1734494
Henry's Law Constant: 1.2 · 1.2×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI: 1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
InChIKey: UMIPWJGWASORKV-UHFFFAOYSA-N
SMILES: CCCCCCC#C
LogP: 3.717 · 3.717 (est)
NIST: 1 · 1-Octyne(629-05-0)
EPA: 1 · 1-Octyne (629-05-0)

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Octyne

Status: Active Update: 26-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16615

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

Hazards SummaryMay cause irritation; May be fatal by ingestion and inhalation; It is an aspiration hazard by ingestion; [Aldrich MSDS] See 4-Nonyne.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: RI2655000
ridadr: UN 3295 3/PG 2
독성: dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85
HS 번호: 29012980
risk_code: 11-65-36/37/38
hazard_code: F,Xn,Xi
safety_code: 16-62-33-26
포장분류: II
위험 등급: 3
기존화학 물질: KE-26781
Hazard Classifications: Asp. Tox. 1Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Octyne: ACTIVE

응용 분야 · 1건

용도1-Octyne is widely used in organic reactions such as halogenation, hydration, oxidative cleavage, hydrogenation, hydrohalogenation, nitrile formation, polymerization and substitution reactions. It is used a precursor for the preparation of monohalogen substituted akenes or dihalogen substituted alkanes on treated with hydrogen halides.

상·하류 제품 정보

상류 원료

1-Octene, 1,1-dibromo-trans-1-chloro-1-octene cis-1-bromo-1-octene trans-1-bromo-1-octene 2-브로모-1-옥텐

하류 제품

노르보난-2-메탄올 Silane, trimethyl-1-octyn-1-yl-5,7-도데카디인-1,12-디올 1,1-디에톡시노난 노닌(2-)(Z)-3-데세놀 2,7-디메틸-3,5-옥타디인-2,7-디올

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

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

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

연결된 노트

불러오는 중…

1-Octyne

기본 정보