HCID11601

3-Hexene

hex-3-ene

C6H1284.16 g/molCAS 592-47-2

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IDENTITY

结构与身份

标准SMILES: CCC=CCC
InChIKey: ZQDPJFUHLCOCRG-UHFFFAOYSA-N
分子式: C6H12
平均分子量: 84.16 g/mol
单同位素质量: 84.09390038

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 2
重原子: 6
形式电荷: 0
复杂度: 29

PROPERTIES

实验与物化性质

来源：PubChem

Vapor Pressure

165.0 [mmHg]

Physical Description

Colorless liquid with a mild odor; [CPChem MSDS]

Kovats Retention Index

611；614；602

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazards Summary

May cause mild skin, eye, and respiratory tract irritation; An aspiration hazard following ingestion; [CPChem MSDS] See 3-Heptene.

Hazard Classes and Categories

Flam. Liq. 2 (100%)；Asp. Tox. 1 (100%)

TOXICITY

毒理信息

来源：PubChem

Adverse Effects

Neurotoxin - Acute solvent syndrome

ALIASES

名称与别名

共 29 条

3-HEXENEHex-3-ene592-47-2DTXSID907320240FC9RS24TCHEBI:176800RefChem:1067907DTXCID2042569209-758-9hexa-3-eneSCHEMBL8788SCHEMBL20322SCHEMBL20658SCHEMBL20659SCHEMBL20660SCHEMBL43592SCHEMBL453915SCHEMBL581267SCHEMBL582994SCHEMBL1174180

REACTIONS

参与反应

0 条

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