기본 정보
- CAS
68227-33-8- 표준 SMILES
CC(C)CCC(C)(O)C#CC(C)(O)CCC(C)C- InChIKey
RHRRUYIZUBAQTQ-UHFFFAOYSA-N- 분자식
- C16H30O2
- 평균 분자량
- 254.41 g/mol
- 단동위원소 질량
- 254.2245802
이름 및 식별자
- 우선 이름
- 6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-
- IUPAC
- 2,5,8,11-tetramethyldodec-6-yne-5,8-diol
- 현지명
- 2,5,8,11-테트라메틸-6-도데신-5,8-디올
- 영어명
- 2,5,8,11-tetramethyldodec-6-yne-5,8-diol
- 분자식
- C16H30O2
- 분자량
- 254.41
이름 및 동의어
68227-33-82,5,8,11-Tetramethyldodec-6-yne-5,8-diol2,5,8,11-Tetramethyl-6-dodecyne-5,8-diolEINECS 269-348-02,5,8,11-Tetramethyl-6-dodecyn-5,8-diol6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-DTXSID1052402EC 269-348-0RefChem:542941DTXCID3030975269-348-0MFCD03701672
이름 더 보기
2,5,8,11-테트라메틸-6-도데신-5,8-디올2,5,8,11-테트라메틸-6-도데신-5,8-디올(2,5,8,11-TETRAMETHYL-6-DODECYN-5...2,5,8,11-테트라메틸도덱-6-인-5,8-디올DF 110DSurfynol 124Surfynol 110DSurfynol DF 110Tetramethyl-6-dodecyn-5,8-diol2,5,8,11-tetramethyl-6-dodecyne-8-diol
SCHEMBL125579RHRRUYIZUBAQTQ-UHFFFAOYSA-NFT172629NS00003000
데이터베이스 식별자
- CAS
68227-33-8- PubChem CID
- 109234
- DTXSID
DTXSID1052402- EC Number
- 269-348-0
- Nikkaji
- J317.437I
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 280
실험 및 물리화학적 성질
Physical DescriptionLiquid; Other Solid
물리화학적 성질
- 끓는 점
- 269 ℃ · 269℃
- 밀도
- 0.935 · 0.935
- 증기압
- 0.005 Pa · 0.005Pa at 25℃
- 인화점
- 101 ℃ · 101℃
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 12.9 · 12.90±0.29(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 92.9 mg/L · 92.9mg/L at 20℃
- InChI
- InChI=1S/C16H30O2/c1-13(2)7-9-15(5,17)11-12-16(6,18)10-8-14(3)4/h13-14,17-18H,7-10H2,1-6H3
- InChIKey
- RHRRUYIZUBAQTQ-UHFFFAOYSA-N
- SMILES
- CC(C)CCC(C)(O)C#CC(C)(O)CCC(C)C
- LogP
- 4.79 · 4.79
- EPA
- 6 · 6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl- (68227-33-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (5 of 740) of reports.
Warning
H302 (59.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 740 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2,5,8,11-tetramethyl-6-dodecyne-5,8-diol
6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl- 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: 2,5,8,11-tetramethyldodec-6-yne-5,8-diol (EC: 269-348-0)
6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-: 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. 4 (59.6%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-33583
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesAdhesion/cohesion promoter
General Manufacturing Information
Wholesale and Retail Trade
6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-: ACTIVE
응용 분야
용도2,5,8,11-Tetramethyl-6-dodecyne-5,8-diol can be used as printing apparatus.
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