3-Buten-1-ol 分子结构式
HCID69389

3-Buten-1-ol

but-3-en-1-ol

C4H8O72.11 g/molCAS 627-27-0

IDENTITY

结构与身份

标准SMILES
C=CCCO
InChIKey
ZSPTYLOMNJNZNG-UHFFFAOYSA-N
分子式
C4H8O
平均分子量
72.11 g/mol
单同位素质量
72.05751487

COMPUTED

结构计算性质

已同步
XLogP
0.6
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
2
重原子
5
形式电荷
0
复杂度
24

PROPERTIES

实验与物化性质

来源:PubChem
Boiling Point

113.50 °C. @ 760.00 mm Hg

Physical Description

Clear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index

609;620;640;640;641;663;620;640;640;641;640;641;638;617.8;624.1;629

596;597

1171;1170;1149;1185;1187;1209;1185;1187;1209;1178;1137;1190.1;1180.6

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (54.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (45.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (44.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (53.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 193 reports by companies from 12 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
Regulatory Information

3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 3-Buten-2-ol.

Hazard Classes and Categories

Flam. Liq. 3 (100%);Skin Irrit. 2 (99%);Eye Dam. 1 (54.9%);Eye Irrit. 2 (45.1%);STOT SE 3 (44.6%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard

PHARMACOLOGY

药理信息

来源:PubChem
Cellular Locations

Cytoplasm;Extracellular

USES

用途与制造

来源:PubChem
General Manufacturing Information

3-Buten-1-ol: ACTIVE

ALIASES

名称与别名

共 55 条
3-Buten-1-ol627-27-0but-3-en-1-olAllylcarbinol3-Butenyl alcohol1-Buten-4-olVinylethyl alcohol3-Butene-1-OLMFCD00002959CH2=CHCH2CH2OHBUTEN-(3)-O1-(L)3-Buten-1-O13DB2KRM1I9NSC-60194Homoallyl AlcoholNSC 60194UNII-3DB2KRM1I93-butenolhydroxy-3-butene3-butene-ol

REACTIONS

参与反应

104
HRID 6573 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07083705B2

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HRID 52574 反应方程式

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05616716

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HRID 62557 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09446394B2

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HRID 73616 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829196B2

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HRID 91405 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 104604 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 107062 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 114525 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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