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hex-1-yn-3-ol

Dangerous Goods

CAS number：105-31-7    molecular formula：C6H10O

overview
Specs
numbering system
physicochemical properties
Safety information
Production methods and uses
Related
MSDS
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overview

compound introduction

1-Hexyn-3-ol is a terminal propargylic alcohol. It undergoes microwave-accelerated coupling-isomerization reaction (MACIR) with (hetero)aryl halides to afford the corresponding enone.

Specs

Chinese alias己炔醇
English aliasH0141 | MFCD00014408 | A1-00337 | NCGC00357079-01 | 1-hexine-3-ol | AKOS009158382 | A801196 | DTXSID4051536 | 4-01-00-02234 (Beilstein Handbook Reference) | hex-1-yn-3-ol | 1-Hexyn-3-ol, 90%, technical grade | FT-0607891 | (+/-)-3-HYDROXYHEX-1-YNE | EINEC
CAS number105-31-7molecular formulaC6H10O
molecular weight98.14Exact mass≥96%
PSA20.2logp0.9

numbering system

CAS105-31-7
UNIIR9B2WH0KBL
WikidataQ72482456
NSC NumberNSC Number: NSC244896
废弃 CAS15352-98-4
PubChem CID7746
Nikkaji NumberJ49.445C
DSSTox Substance IDDTXSID4051536
生态与环境部编号_25Q1B3S6E
European Community (EC) Number203-286-7
PubChem Reference Collection SID505865773

physicochemical properties

XLogP3XLogP3-AA: 0.9
复杂性77.4
Exact Mass98.073164938
形式电荷0
重原子计数7
Molecular Weight98.14
Monoisotopic Mass98.073164938
可旋转键计数2
氢键供体计数1
氢键受体计数1
共价键单元计数1
同位素原子计数0
拓扑极性表面积20.2 Ų
定义键立体中心计数0
定义原子立体中心计数0
未定义键立体中心计数0
未定义原子手性中心计数1

Safety information

法规信息：
澳大利亚工业化学品名录：化学物质：1-己炔-3-醇
危害类别和分类：
眼睛损伤 1 (88.9%)

Production methods and uses

purpose
工业应用参考：
工业分类参考：仪器仪表制造业。 应用场景参考：可延伸到医疗、生物医药、科研院所及第三方检测等专业场景，但具体适用范围仍依赖技术条件 。 作用参考：在健康、安全与公共防护相关场景中，可为消毒、净化、防腐或阻燃方向提供材料支持 。 选型提示：实际选型应结合产品定位、纯度要求、设备精细化程度和现场环境综合判断，不宜仅凭单一指标决定 。

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