HCID92981

1-Pentyn-3-ol

pent-1-yn-3-ol

C5H8O84.12 g/molCAS 4187-86-4

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IDENTITY

结构与身份

标准SMILES: C#CC(O)CC
InChIKey: LBSKEFWQPNVWTP-UHFFFAOYSA-N
分子式: C5H8O
平均分子量: 84.12 g/mol
单同位素质量: 84.05751487

COMPUTED

结构计算性质

已同步

XLogP: 0.6
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 1
重原子: 6
形式电荷: 0
复杂度: 67

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (87%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Flam. Liq. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (89.1%)；Acute Tox. 3 (87%)

ALIASES

名称与别名

共 37 条

1-Pentyn-3-ol4187-86-4DTXSID50871060RefChem:76903DTXCID10818734224-063-0Pent-1-yn-3-olEthylethynylcarbinolMFCD000045721-pentyne-3-olEthyl ethynyl carbinolEINECS 224-063-0NSC 60556BRN 10984091-Pentyn-3-ol, 98%AI3-286041-Pentine-3-ol3-hydroxy-1-pentineethynyl-ethyl carbinolSCHEMBL17414

REACTIONS