기본 정보
- CAS
1191-62-4- 표준 SMILES
SCCCCCCCCS- InChIKey
PGTWZHXOSWQKCY-UHFFFAOYSA-N- 분자식
- C8H18S2
- 평균 분자량
- 178.4 g/mol
- 단동위원소 질량
- 178.08499292
개요
1,8-Octanedithiol is an alkanethiol.
이름 및 식별자
- 우선 이름
- 1,8-Octanedithiol
- IUPAC
- octane-1,8-dithiol
- 영어명
- 1,8-Octanedithiol
- 분자식
- C8H18S2
- 분자량
- 178.36
이름 및 동의어
1,8-OCTANEDITHIOL1191-62-4Octane-1,8-dithiol1,8-DimercaptooctaneOctamethylene dimercaptan1,8-OctamethylenedithiolFEMA No. 3514DTXSID8047474KH3W3161HSDTXCID6027474RefChem:73783214-738-8
이름 더 보기
OctanedithiolFEMA 3514NANOTHINKS THIO8Octan-1,8-dithiol1,8-Octanebisthiolnanothinkstm thio8NANOTHINKS(R) THIO8Octane-1,8-bisthiol
MFCD00003574SCHEMBL63238OCTANEDITHIOL, 1,8-CHEBI:172319Tox21_3036211,8-Octanedithiol, >=97%, FGAKOS015897631O0374
데이터베이스 식별자
- CAS
1191-62-4- PubChem CID
- 14493
- DTXSID
DTXSID8047474- ChEMBL
CHEMBL3188161- ChEBI
CHEBI:172319- UNII
- KH3W3161HS
- EC Number
- 214-738-8
- Nikkaji
- J86.719E
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 47.2
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Thiols
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.962 (d20/4)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in oil
(in ethanol)
Boiling Point
142.00 °C. @ 30.00 mm Hg
269-270 °C; 193 °C (100 mm Hg)
Melting Point0.9 °C
Refractive Index1.503-1.504
Physical Description
Liquid with odor of "stench"; [MSDSonline]
Liquid
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 138 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,8-Octanedithiol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,8-Octanedithiol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; Harmful if swallowed; Inhalation can cause CNS effects; [MSDSonline] See THIOLS.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Adverse EffectsOther Poison - Chemical Asphyxiant
안전 데이터
- wgk
- 3
- rtecs
- RG9610000
- ridadr
- UN 1170
- HS 번호
- 29309090
- risk_code
- 22-36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 36-36/37/39-26
- Hazard Classifications
- Acute Tox. 4 Oral
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
용도OCT may be used as a processing additive that can functionalize the electrode layer to enhance the power efficiency of P3HT:PCBM solar cells. It may also be used to form a SAM on gold electrodes to enhance the electrochemical properties.
일반 설명1,8-Octanedithiol (OCT) is an alkanedithiol, which forms a self-assembled monolayer (SAM) on a variety of metal surfaces. OCT contains linearly arranged carbon-carbon bonds (CC) and two sulfur atoms at the end facilitating the attachment with the surface atoms of the substrates. It mainly forms an organo-metallic system, which can be used to improve the electron transport medium for a wide range of electronic applications.
공급사100 곳
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