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기본 정보
- CAS
3031-66-1- 표준 SMILES
CC(O)C#CC(C)O- InChIKey
KDOWHHULNTXTNS-UHFFFAOYSA-N- 분자식
- C6H10O2
- 평균 분자량
- 114.14 g/mol
- 단동위원소 질량
- 114.06807956
이름 및 식별자
- 우선 이름
- 3-Hexyne-2,5-diol
- IUPAC
- hex-3-yne-2,5-diol
- 영어명
- 3-Hexyn-2,5-diol
- 분자식
- C6H10O2
- 분자량
- 114.14
이름 및 동의어
3-HEXYNE-2,5-DIOLhex-3-yne-2,5-diol3031-66-13-Hexyn-2,5-diol3-Hexyne-3,5-diolNSC 409184DTXSID3044910EINECS 221-209-5UNII-538TMM2U3GBRN 1720667538TMM2U3GNSC-409184
이름 더 보기
NISTC30316613-Hexin-2,5-diol2,5- hexyne diolHx-3-yne-2,5-diol3-Hexyne-2,5-diol>3-hexyne-2.5-diol(HD)
J49.444EDTXCID1024910EC 221-209-53-01-00-02271 (Beilstein Handbook Reference)RefChem:94045221-209-5KDOWHHULNTXTNS-UHFFFAOYSA-NHexyne-3-diol-2,5
데이터베이스 식별자
- CAS
3031-66-1- PubChem CID
- 18198
- DTXSID
DTXSID3044910- ChEMBL
CHEMBL3187998- UNII
- 538TMM2U3G
- EC Number
- 221-209-5
- Nikkaji
- J49.444E
물성
구조 계산 물성보충 중
- XLogP
- -0.3
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
Physical DescriptionLiquid; Liquid; Other Solid
Kovats Retention Index161.4
물리화학적 성질
- 녹는점
- 42 °C · 42 °C(lit.)
- 끓는 점
- 121 °C15 · 121 °C15 mm Hg(lit.)
- 밀도
- 1.009 g/mL · 1.009 g/mL at 25 °C(lit.)
- 증기압
- 0.1 Pa · 0.1Pa at 20℃
- 굴절률
- 20 · n20/D 1.473(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 12.8 · 12.80±0.20(Predicted)
- 색상
- 옅은 노랑
- BRN
- 1720667 · 1720667
- LogP
- -0.24 at · -0.24 at 25℃
- NIST
- 3 · 3-Hexyne-2,5-diol(3031-66-1)
- EPA
- 3 · 3-Hexyne-2,5-diol (3031-66-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (12.7%): Fatal if swallowed [Danger Acute toxicity, oral]；H301 (86.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (65.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (65%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H373 (65%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411 (65%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 197 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: 3-Hexyne-2,5-diol
3-Hexyne-2,5-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Hexyne-2,5-diol 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)
Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12361
3-Hexyne-2,5-diol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb；2022: 100,000 - <250,000 lb；2021: 250,000 - <400,000 lb；2020: 250,000 - <400,000 lb
Industry UsesChelating agent；Etching agent；Brightener；Plating agent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing；Paint and Coating Manufacturing；Primary Metal Manufacturing
3-Hexyne-2,5-diol: ACTIVE
응용 분야
개요3-Hexyne-2,5-diol is a more or less solid yellow mass of crystals depending on the relative content of the meso form. It is miscible with water and polar solvents. 3-Hexyne-2,5-diol is produced by BASF from acetylene and acetaldehyde by the Reppe ethynylation method.
용도3-Hexyne-2,5-diol is used in the synthesis of hyperbrancehed poly([1,2,3]-triazoles. Also used in the synthesis of pyrazoles and thiopyrazoles.
상·하류 제품 정보
상류 원료
하류 제품
공급사98 곳
北京华美互利生物化工010-56205725 · [email protected]
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