기본 정보
- CAS
14970-87-7- 표준 SMILES
SCCOCCOCCS- InChIKey
HCZMHWVFVZAHCR-UHFFFAOYSA-N- 분자식
- C6H14O2S2
- 평균 분자량
- 182.3 g/mol
- 단동위원소 질량
- 182.04352203
이름 및 식별자
- 우선 이름
- Triethylene glycol dimercaptan
- IUPAC
- 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
- 현지명
- 트리글리콜 디메르캅탄
- 영어명
- 3,6-Dioxa-1,8-octanedithiol
- 분자식
- C6H14O2S2
- 분자량
- 182.3
이름 및 동의어
14970-87-71,2-Bis(2-mercaptoethoxy)ethaneTriglycol dimercaptan2,2'-(Ethylenedioxy)diethanethioltriethylene glycol dimercaptanEthanethiol, 2,2'-[1,2-ethanediylbis(oxy)]bis-1,8-Dimercapto-3,6-dioxaoctaneTriethyleneglycol dimercaptan3,6-dioxaoctane-1,8-dithiolEthanethiol, 2,2'-(ethylenedioxy)di-2,2'-[1,2-Ethanediylbis(oxy)]bis(ethanethiol)83CA1M23NC
이름 더 보기
1,8-디메르캅토-3,6-디옥사옥탄트리글리콜디메르캅탄DODT2,2’-(ethylenedioxy)diethanethiolSH-PEG2-SHHS-PEG3-SHHS-PEG2-CH2CH2SHThiol-PEG2-thiolTriglycoldimercaptan3,6-dioxa-1,8-octandithiol3,6-dioxy-1,8-octyldithiol
2,2-(Ethylenedioxy)diethanethiol2,2'-[Ethane-1,2-diylbis(oxy)]diethanethiolEINECS 239-044-2NSC 94782NSC-94782Ethanethiol, 2,2'-(1,2-ethanediylbis(oxy))bis-3,6-DIOXAOCTANE-1,8-DITHIOL [MI]2,2'-(ethane-1,2-diylbis(oxy))diethanethiol
데이터베이스 식별자
- CAS
14970-87-7、68865-60-1- PubChem CID
- 84733
- DTXSID
DTXSID9044588- ChEMBL
CHEMBL3187655- UNII
- 83CA1M23NC
- EC Number
- 239-044-2
- Nikkaji
- J38.158F
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 20.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 53.7
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 225 °C · 225 °C(lit.)
- 밀도
- 1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
- 증기압
- 0.39 Pa · 0.39Pa at 20℃
- 굴절률
- 20 · n20/D 1.509(lit.)
- 인화점
- 132 °C · 132 °C
- 저장 조건
- RT, stored under nitrogen
- 용해도
- 물에 약간 용해됨
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 9.34 · 9.34±0.10(Predicted)
- 색상
- Colorless to Light yellow to Light orange
- 수용성
- 11.4 g/L · 11.4g/L at 19.8℃
- BRN
- 1901671 · 1901671
- InChI
- InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2
- InChIKey
- HCZMHWVFVZAHCR-UHFFFAOYSA-N
- SMILES
- C(OCCS)COCCS
- LogP
- 1.6 at · 1.6 at 55℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (10.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P301+P317, P304+P340, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 282 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanethiol, 2,2'-[1,2-ethanediylbis(oxy)]bis-
Ethanethiol, 2,2'-[1,2-ethanediylbis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanethiol, 2,2'-[1,2-ethanediylbis(oxy)]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,2'-[1,2-ethanediylbis(oxy)]bis(ethanethiol) (EC: 239-044-2)
Ethanethiol, 2,2'-[1,2-ethanediylbis(oxy)]bis-: 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.
Hazard Classes and CategoriesAcute Tox. 3 (10.6%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29309090
- risk_code
- 22-23-36/37/38-51/53-20/22
- hazard_code
- T,N,Xn
- safety_code
- 26-45-61
- 기존화학 물질
- KE-11020
화학 및 산업
용도 및 제조
U.S. Production2023: 25,000 - <50,000 lb
Industry UsesCorrosion inhibitor
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
Ethanethiol, 2,2'-[1,2-ethanediylbis(oxy)]bis-: ACTIVE
응용 분야
용도3,6-dioxa-1,8-octanedithiol (DODT) was used for cleaving peptides in the study to develop synthetic peptide serology to treat chronic chagas disease. DODT may be used to develop non-malodorous scavenger in Fmoc-based peptide synthesis.
일반 설명3,6-dioxa-1,8-octanedithiol is non volatile in nature.
상·하류 제품 정보
상류 원료
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [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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